General Information of the Compound
| Compound ID |
CP0541949
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorobenzyl)-N-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H19Cl2FN4O
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| Molecular Weight |
493.369
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C26H19Cl2FN4O/c1-32(16-17-6-12-20(29)13-7-17)26(34)24-21(14-15-30)25(18-8-10-19(27)11-9-18)33(31-24)23-5-3-2-4-22(23)28/h2-13H,14,16H2,1H3
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| InChIKey |
VMMYWIVNOAUSPQ-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