General Information of the Compound
| Compound ID |
CP0864076
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| Compound Name |
N-((4-Chlorophenyl)carbamothioyl)-3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H16ClFN4OS
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| Molecular Weight |
450.926
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| Canonical SMILES |
O=C(NC(=S)Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H16ClFN4OS/c24-16-8-12-18(13-9-16)26-23(31)27-22(30)20-14-29(19-4-2-1-3-5-19)28-21(20)15-6-10-17(25)11-7-15/h1-14H,(H2,26,27,30,31)
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| InChIKey |
NTOXNDUPXCOGPS-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