General Information of the Compound
| Compound ID |
CP0494748
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-cyanobenzyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H17Cl2N5O
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| Molecular Weight |
486.362
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H17Cl2N5O/c27-20-11-9-19(10-12-20)25-21(13-14-29)24(32-33(25)23-4-2-1-3-22(23)28)26(34)31-16-18-7-5-17(15-30)6-8-18/h1-12H,13,16H2,(H,31,34)
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| InChIKey |
PKUSYOCDQLCSJK-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