General Information of the Compound
| Compound ID |
CP0872301
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| Compound Name |
N-((4-Chlorophenyl)carbamothioyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H17ClN4OS
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| Molecular Weight |
432.936
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| Canonical SMILES |
O=C(NC(=S)Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
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| InChI |
InChI=1S/C23H17ClN4OS/c24-17-11-13-18(14-12-17)25-23(30)26-22(29)20-15-28(19-9-5-2-6-10-19)27-21(20)16-7-3-1-4-8-16/h1-15H,(H2,25,26,29,30)
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| InChIKey |
BPJJVLZTUAVNKR-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