General Information of the Compound
| Compound ID |
CP0847864
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| Compound Name |
3-(4-Chlorophenyl)-N-((4-chlorophenyl)carbamothioyl)-1-phenyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H16Cl2N4OS
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| Molecular Weight |
467.381
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| Canonical SMILES |
O=C(NC(=S)Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H16Cl2N4OS/c24-16-8-6-15(7-9-16)21-20(14-29(28-21)19-4-2-1-3-5-19)22(30)27-23(31)26-18-12-10-17(25)11-13-18/h1-14H,(H2,26,27,30,31)
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| InChIKey |
DKLSGSVYDCGNPU-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