Molecule FYI-1004332

A

Molecule Summary:

ID: FYI-1004332
Names:
InChIKey: MDXBVHULFRRYIX-UHFFFAOYSA-N
SMILES: Cc3cc(C(N)c2cc(c1cc(N)cc(N)c1)ccc2N)cc(C(O)C(N)O)c3

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004332 Edit

Molecule Structure InChIKey: MDXBVHULFRRYIX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C(N)c2cc(c1cc(N)cc(N)c1)ccc2N)cc(C(O)C(N)O)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004332
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   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  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  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22  4  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 23  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004332-3D
FYIcenter.com

 56 58  0  0  1  0  0  0  0  0999 V2000
   -1.6741   -2.4510    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -1.1343    0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7443    0.0016    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1329    1.2479    0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262    2.5398   -0.0133 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3810    2.3339   -0.0336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    3.3736   -1.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    2.7268   -2.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758    3.4228   -3.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283    2.7046   -4.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259    3.1612   -6.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    2.5114   -7.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357    2.9449   -8.4588 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    1.3013   -6.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    0.7769   -5.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   -0.3556   -5.4538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230    1.5243   -4.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8263    4.8138   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    5.4714   -2.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    4.7783   -1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567    5.4887   -0.1951 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2666    1.3225    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478    0.2119    0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5528    0.2986    0.9249 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2140    0.0320   -0.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066    1.6462    1.5148 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5453    1.6021    1.7212 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974    2.7177    0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -1.0214    0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7557   -2.3748    0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5092   -2.7805    2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -3.2086    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262   -0.0860    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077    3.1237    0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0439    1.6380   -2.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9323    4.0462   -6.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6426    2.6301   -9.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3158    0.7592   -7.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881   -0.9924   -6.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684   -0.8376   -4.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487    1.1635   -3.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566    5.4173   -4.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775    6.5480   -2.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457    6.4829   -0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    5.0980    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7317    2.2920    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8516   -0.5006    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.5484   -0.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959    1.8817    2.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9636    1.1792    0.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7465    0.9360    2.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160    2.7543    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757   -1.9048    1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  2  0  0  0  0
  3  4  2  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 39  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2458👍, 0💬