General Information of the Compound
| Compound ID |
CP0535549
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-cyclohexyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H22Cl2N4O
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| Molecular Weight |
453.373
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C24H22Cl2N4O/c25-17-12-10-16(11-13-17)23-19(14-15-27)22(24(31)28-18-6-2-1-3-7-18)29-30(23)21-9-5-4-8-20(21)26/h4-5,8-13,18H,1-3,6-7,14H2,(H,28,31)
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| InChIKey |
MSBPILCKUDQJMB-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