General Information of the Compound
| Compound ID |
CP0533031
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| Compound Name |
methyl 2-[[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoate
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| Structure |
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| Formula |
C28H22Cl2N4O3
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| Molecular Weight |
533.415
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| Canonical SMILES |
COC(=O)C(Cc1ccccc1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H22Cl2N4O3/c1-37-28(36)23(17-18-7-3-2-4-8-18)32-27(35)25-21(15-16-31)26(19-11-13-20(29)14-12-19)34(33-25)24-10-6-5-9-22(24)30/h2-14,23H,15,17H2,1H3,(H,32,35)
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| InChIKey |
KOUWKYSGUIWOCC-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