General Information of the Compound
| Compound ID |
CP0496148
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,6-dichlorobenzyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H16Cl4N4O
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| Molecular Weight |
530.242
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C25H16Cl4N4O/c26-16-10-8-15(9-11-16)24-17(12-13-30)23(32-33(24)22-7-2-1-4-21(22)29)25(34)31-14-18-19(27)5-3-6-20(18)28/h1-11H,12,14H2,(H,31,34)
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| InChIKey |
QHHCZYQRZPNRQT-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