General Information of the Compound
| Compound ID |
CP0533029
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(quinolin-3-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H17Cl2N5O
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| Molecular Weight |
498.373
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)Nc1cnc2ccccc2c1
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| InChI |
InChI=1S/C27H17Cl2N5O/c28-19-11-9-17(10-12-19)26-21(13-14-30)25(33-34(26)24-8-4-2-6-22(24)29)27(35)32-20-15-18-5-1-3-7-23(18)31-16-20/h1-12,15-16H,13H2,(H,32,35)
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| InChIKey |
UPGMTVZTKSVXPE-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