Molecule FYI-1006302

A

Molecule Summary:

ID: FYI-1006302
Names:
InChIKey: SSXZAZKSDBPHKQ-UHFFFAOYSA-N
SMILES: Cc4ccc(NC(=O)N(C)Cc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4Cl

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006302 Edit

Molecule Structure InChIKey: SSXZAZKSDBPHKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(NC(=O)N(C)Cc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006302
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1647    6.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5342    6.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5953    7.8158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2030    7.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2953    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6953    9.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3953   10.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6953   11.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3953   12.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2953   11.4531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5953   10.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1953   10.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   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
    0.0000    1.4000    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 Cl  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  1  1  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  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
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  2  0  0  0  0
 32 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006302-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
    0.0557   -3.9769    1.1736 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776    1.8323   -2.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844    2.2526    0.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0928   -1.4673    0.9284 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    0.1815   -0.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3574    0.8880   -0.4429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6974    0.3652    0.8475 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3163    2.0179    0.6593 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698   -0.1669    0.9189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919    0.3622   -0.5697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5585    0.7663    0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7144   -1.1394   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2976    1.4596    0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    1.9262   -0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001    1.5633   -1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1419   -1.6449   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5834    1.0881    0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492    1.6698    1.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    2.3571    0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0630   -0.9352    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6474    2.6074   -1.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076    2.8215   -0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624    2.6027    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388    2.9506    0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5149    0.6234    0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -1.4118    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941   -2.0235    0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040   -2.0262   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -3.8642   -0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526   -3.2498    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2626   -3.2523   -1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961   -5.1772   -1.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6297    3.3620   -1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7139    3.5271    1.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 20  2  0  0  0  0
  5 25  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
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  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 25  1  0  0  0  0
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 14 21  1  0  0  0  0
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 16 39  1  0  0  0  0
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 19 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 27 50  1  0  0  0  0
 28 31  2  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 2401👍, 0💬