General Information of the Compound
| Compound ID |
CP0544210
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| Compound Name |
methyl 2-[[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carbonyl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C24H22Cl2N4O3
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| Molecular Weight |
485.371
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| Canonical SMILES |
COC(=O)C(NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl)C(C)C
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| InChI |
InChI=1S/C24H22Cl2N4O3/c1-14(2)20(24(32)33-3)28-23(31)21-17(12-13-27)22(15-8-10-16(25)11-9-15)30(29-21)19-7-5-4-6-18(19)26/h4-11,14,20H,12H2,1-3H3,(H,28,31)
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| InChIKey |
QBLNWIRPBUTGHP-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