General Information of the Compound
| Compound ID |
CP0101028
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| Compound Name |
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H19FN4O2S
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| Molecular Weight |
446.507
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| Canonical SMILES |
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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| InChIKey |
OQEFZDKDXVHSRX-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