Molecule FYI-1010749

A

Molecule Summary:

ID: FYI-1010749
Names:
InChIKey: XIXPKFNXMMAUIM-UHFFFAOYSA-N
SMILES: CNc3ccc(Nc1c(C)cc(C)cc1C)c4c(=O)c2ccccc2c(=O)c34

Received at FYIcenter.com on: 2024-07-12

Molecule ID: FYI-1010749 Edit

Molecule Structure InChIKey: XIXPKFNXMMAUIM-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc3ccc(Nc1c(C)cc(C)cc1C)c4c(=O)c2ccccc2c(=O)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1010749
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  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  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  2  0  0  0  0
 28  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010749-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.9332    0.1441    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3535   -0.0257    0.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.0090   -0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729    2.3365   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910    3.3798   -0.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128    3.1646   -1.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3406    4.2711   -1.9191 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1763    5.6472   -1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0866    6.1231   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3523    5.2567    0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7224    7.4593   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4783    8.3515   -1.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0510    9.7598   -0.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    7.9013   -2.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9788    6.5645   -2.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784    6.1484   -4.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    1.8407   -1.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4799    1.5524   -1.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3434    2.4249   -1.9939 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8358    0.1863   -2.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0355   -0.0458   -3.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -1.3297   -3.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4698   -2.3837   -3.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867   -2.1566   -2.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9711   -0.8669   -2.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7239   -0.6267   -1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0171   -1.5912   -1.0547 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3030    0.7684   -1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -0.8132    0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093    0.4900   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573    0.8490    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941   -0.9388   -0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827    2.5959    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    4.3854   -0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8965    4.0632   -2.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948    4.3393    0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071    4.9955    1.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9746    5.7973    1.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    7.7970    0.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344    9.9366    0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856    9.9553   -1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7955   10.4644   -1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708    8.5995   -3.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9516    7.0039   -4.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    5.4213   -4.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    5.7195   -4.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7253    0.7744   -3.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2742   -1.5040   -4.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7060   -3.3830   -3.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -2.9874   -2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 250👍, 0💬