Molecule FYI-1004618

A

Molecule Summary:

ID: FYI-1004618
Names:
InChIKey: PHGCRFDNMAVCJM-UHFFFAOYSA-N
SMILES: Cc4n[nH]c(SCc3ccc(NC(=O)c2ccc(c1ccc(Cl)c(Cl)c1)o2)cc3)n4

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004618 Edit

Molecule Structure InChIKey: PHGCRFDNMAVCJM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4n[nH]c(SCc3ccc(NC(=O)c2ccc(c1ccc(Cl)c(Cl)c1)o2)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004618
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   20.1443    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5769    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4443    3.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3117    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7443    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9672    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9802    2.8967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    2.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3438    2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9003    3.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5285    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    3.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0439    1.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4156    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2074    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
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 18 22  1  0  0  0  0
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 23 24  2  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004618-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
    5.0109   -3.8867   -0.1098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2328   -3.6094    0.0149 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6177   -0.2882    1.1647 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    1.0135    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7415    1.0268   -0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7143   -0.6991   -0.5789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4557   -1.0567    0.8606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3087   -0.8339    1.5197 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7646    1.2372    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263    2.2328    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0270    2.5861    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4048    2.2770   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    3.2326    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015   -1.2075   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1958👍, 0💬