General Information of the Compound
| Compound ID |
CP0417930
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H21Cl2N5O
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| Molecular Weight |
454.361
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C23H21Cl2N5O/c24-17-10-8-16(9-11-17)22-18(12-13-26)21(23(31)28-29-14-4-1-5-15-29)27-30(22)20-7-3-2-6-19(20)25/h2-3,6-11H,1,4-5,12,14-15H2,(H,28,31)
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| InChIKey |
KBSBQWJUWFMCBI-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