General Information of the Compound
| Compound ID |
CP0417932
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamido)-3-methylbutanoic acid
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| Structure |
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| Formula |
C23H20Cl2N4O3
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| Molecular Weight |
471.344
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| Canonical SMILES |
CC(C)C(NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C23H20Cl2N4O3/c1-13(2)19(23(31)32)27-22(30)20-16(11-12-26)21(14-7-9-15(24)10-8-14)29(28-20)18-6-4-3-5-17(18)25/h3-10,13,19H,11H2,1-2H3,(H,27,30)(H,31,32)
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| InChIKey |
XOUPWLHDBOAHMT-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