General Information of the Compound
| Compound ID |
CP0524158
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| Compound Name |
N-[[4-chloro-3-(phenylcarbamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C24H22ClN3O5S
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| Molecular Weight |
499.976
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C24H22ClN3O5S/c1-31-19-11-14(12-20(32-2)21(19)33-3)22(29)28-24(34)27-16-9-10-18(25)17(13-16)23(30)26-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,30)(H2,27,28,29,34)
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| InChIKey |
XNXPHKVTUGIUIP-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