General Information of the Compound
| Compound ID |
CP0212238
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| Compound Name |
4-phenyl-N-[[4-(2-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
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| Structure |
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| Formula |
C29H25N3O2S
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| Molecular Weight |
479.605
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| Canonical SMILES |
O=C(NCCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H25N3O2S/c33-27(30-20-19-21-7-3-1-4-8-21)24-15-17-26(18-16-24)31-29(35)32-28(34)25-13-11-23(12-14-25)22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,33)(H2,31,32,34,35)
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| InChIKey |
VCENJVOGTFFANG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound