General Information of the Compound
| Compound ID |
CP0494746
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2-(piperidin-1-yl)ethyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H25Cl2N5O
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| Molecular Weight |
482.415
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCCN1CCCCC1
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| InChI |
InChI=1S/C25H25Cl2N5O/c26-19-10-8-18(9-11-19)24-20(12-13-28)23(30-32(24)22-7-3-2-6-21(22)27)25(33)29-14-17-31-15-4-1-5-16-31/h2-3,6-11H,1,4-5,12,14-17H2,(H,29,33)
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| InChIKey |
KHAAKYNGKAYXSE-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