General Information of the Compound
| Compound ID |
CP0430990
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorobenzyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H17Cl2FN4O
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| Molecular Weight |
479.342
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C25H17Cl2FN4O/c26-18-9-7-17(8-10-18)24-20(13-14-29)23(31-32(24)22-4-2-1-3-21(22)27)25(33)30-15-16-5-11-19(28)12-6-16/h1-12H,13,15H2,(H,30,33)
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| InChIKey |
QAKDNMTUXGFHFX-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