General Information of the Compound
| Compound ID |
CP0416535
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| Compound Name |
N-[[4-chloro-3-[(4-phenylbenzoyl)amino]phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C30H26ClN3O5S
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| Molecular Weight |
576.074
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1
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| InChI |
InChI=1S/C30H26ClN3O5S/c1-37-25-15-21(16-26(38-2)27(25)39-3)29(36)34-30(40)32-22-13-14-23(31)24(17-22)33-28(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,35)(H2,32,34,36,40)
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| InChIKey |
UXIZREWXRPGLRQ-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