Molecule FYI-1003201

A

Molecule Summary:

ID: FYI-1003201
Names:
InChIKey: XXZKSEAMSGFDRA-UHFFFAOYSA-N
SMILES: N=c7cc(C6(O)C(=O)N(CCCCCN4C(=O)C(O)(c1c[nH]c2ccccc12)c3ccccc34)c5ccccc56)c8ccccc78

Received at FYIcenter.com on: 2023-05-23

Molecule ID: FYI-1003201 Edit

Molecule Structure InChIKey: XXZKSEAMSGFDRA-UHFFFAOYSA-N

Molecule Structure SMILES String: N=c7cc(C6(O)C(=O)N(CCCCCN4C(=O)C(O)(c1c[nH]c2ccccc12)c3ccccc34)c5ccccc56)c8ccccc78

Download SDF Download SVG Structure in 2D SDF:

FYI-1003201
FYIcenter.com

 46 53  0  0  0  0  0  0  0  0999 V2000
   20.5951    5.5992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5527    4.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1808    4.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4795    3.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0846    3.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8485    2.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1461    4.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4377    6.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8647    4.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6501    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    4.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2207    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061    4.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7914    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5767    4.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2954    4.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    5.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569    3.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    3.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8543    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5422    6.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7355    7.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    6.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    7.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0735    5.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    4.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    5.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582    2.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248    1.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9352    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3687    1.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    2.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0114    2.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0729    1.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5062    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8782    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8167    1.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3833    2.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4180    2.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2714    1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4061    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6875    1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8340    2.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6994    3.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 20  1  0  0  0  0
 28 23  1  0  0  0  0
 29 18  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
 34 15  1  0  0  0  0
 35  9  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 40  5  1  0  0  0  0
 41  4  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 46  2  1  0  0  0  0
 46 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003201-3D
FYIcenter.com

 78 85  0  0  1  0  0  0  0  0999 V2000
   -0.8960   -1.0064    2.5031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088    0.1411    2.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354    1.4049    1.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415    2.3723    1.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191    3.8340    1.4035 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8586    4.1377    1.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868    4.7985    2.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839    4.6857    3.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8327    5.8149    1.2713 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6215    6.9412    1.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067    6.6111    1.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9178    7.7691    2.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    8.1750    3.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    7.0087    4.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3358    7.3439    6.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337    7.5725    6.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0669    7.9398    5.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474    7.2469    8.1633 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3352    8.1282    9.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6218    5.7902    8.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    5.0815    9.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    3.8743    9.3767 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679    3.5977    8.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561    2.3788    7.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642    2.4345    6.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    3.6472    5.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405    4.8710    6.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036    4.8582    7.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    7.3480    8.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    7.5852    9.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6157    7.7874    9.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3058    7.7102    8.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    7.4573    7.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399    7.3289    7.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906    5.4637   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9007    6.0683   -1.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892    5.4814   -2.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502    4.3649   -2.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727    3.7650   -1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    4.3110   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938    1.7684    1.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3455    2.3065    1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4695    1.4819    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3484    0.1337    1.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -0.4197    2.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9982    0.4231    1.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130   -0.9666    2.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076    1.5007    2.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905    4.0309    2.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    7.2124    2.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4385    7.8009    1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    6.3687    0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2592    5.7039    2.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8144    8.6442    1.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9773    7.4864    2.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226    8.5829    3.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    8.9907    4.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6677    6.5760    4.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9663    6.2107    4.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    8.0673    8.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780    5.3672   10.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206    3.3325   10.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    1.4273    7.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155    1.5383    5.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3372    3.6449    4.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133    5.7881    5.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    7.6783   10.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1646    8.0410   10.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3768    7.8992    8.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472    7.4640    6.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455    6.9359   -1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347    5.9019   -3.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    3.9174   -3.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    2.8883   -1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839    3.3427    1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4592    1.9022    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -0.4849    1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -1.4561    2.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  2  0  0  0  0
  3 48  1  0  0  0  0
  4  5  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 40  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  2  0  0  0  0
 26 65  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 30 67  1  0  0  0  0
 31 32  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  2  0  0  0  0
 32 69  1  0  0  0  0
 33 34  1  0  0  0  0
 33 70  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  2  0  0  0  0
 36 37  2  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 37 72  1  0  0  0  0
 38 39  2  0  0  0  0
 38 73  1  0  0  0  0
 39 40  1  0  0  0  0
 39 74  1  0  0  0  0
 41 42  1  0  0  0  0
 41 46  2  0  0  0  0
 42 43  2  0  0  0  0
 42 75  1  0  0  0  0
 43 44  1  0  0  0  0
 43 76  1  0  0  0  0
 44 45  2  0  0  0  0
 44 77  1  0  0  0  0
 45 46  1  0  0  0  0
 45 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2279👍, 0💬