General Information of the Compound
| Compound ID |
CP0541948
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H15Cl2N5O
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| Molecular Weight |
448.313
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C23H15Cl2N5O/c24-16-9-7-15(8-10-16)22-18(11-12-26)21(23(31)28-17-4-3-13-27-14-17)29-30(22)20-6-2-1-5-19(20)25/h1-10,13-14H,11H2,(H,28,31)
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| InChIKey |
UWWUCNACYZFKJB-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