Molecule FYI-1006637

A

Molecule Summary:

ID: FYI-1006637
Names:
InChIKey: IDBNUZDKTVKWNJ-UHFFFAOYSA-N
SMILES: Cc3c(c1ccc(F)cc1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Received at FYIcenter.com on: 2024-01-07

Molecule ID: FYI-1006637 Edit

Molecule Structure InChIKey: IDBNUZDKTVKWNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c1ccc(F)cc1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006637
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.9153    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006637-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.2949   -2.9940   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -1.5098   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8166   -0.9743   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269   -1.8254   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074   -2.2724    1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7742   -3.0399    1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -3.3539   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4854   -4.0774   -0.1231 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931   -2.9253   -1.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6236   -2.1627   -1.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383    0.5021   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1618    0.9952    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9164    1.3097   -0.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.7712   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    1.7057   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399    1.2704    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    2.0959   -0.0166 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    3.3729    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    4.1950    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7461    5.4836    1.1985 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    6.7277    0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493    7.5697    1.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856    6.8323    2.8147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173    5.5508    2.5005 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902   -0.1023    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   -1.0283    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5941   -0.6028   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1957   -3.6091   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -3.3043    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126   -3.2513   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -2.0129    2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2377   -3.3834    2.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2720   -3.1766   -2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1920   -1.8203   -2.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1540    2.7561   -0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3299    3.2116    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8601    3.9401    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2284    4.3644   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7466    3.6840    1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    6.9076   -0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    8.6498    1.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0173   -0.4643    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1863   -2.0861    0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 210👍, 0💬