General Information of the Compound
| Compound ID |
CP0416563
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| Compound Name |
ethyl 4-[[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]methyl]benzoate
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| Structure |
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| Formula |
C27H22Cl3N3O3
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| Molecular Weight |
542.85
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| Canonical SMILES |
CCOC(=O)c1ccc(CNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C27H22Cl3N3O3/c1-3-36-27(35)19-6-4-17(5-7-19)15-31-26(34)24-16(2)25(18-8-10-20(28)11-9-18)33(32-24)23-13-12-21(29)14-22(23)30/h4-14H,3,15H2,1-2H3,(H,31,34)
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| InChIKey |
HIEHBANIVRAGMU-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