General Information of the Compound
| Compound ID |
CP0053667
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| Compound Name |
N-[(4-methoxyphenyl)carbamothioyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H22N4O2S
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| Molecular Weight |
442.544
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| Canonical SMILES |
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)
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| InChIKey |
XYZIPKBTOPMPRH-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