General Information of the Compound
| Compound ID |
CP0117979
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| Compound Name |
ethyl 2-[4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]phenoxy]-2-methylpropanoate
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| Structure |
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| Formula |
C29H26Cl3N3O4
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| Molecular Weight |
586.903
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| Canonical SMILES |
CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C29H26Cl3N3O4/c1-5-38-28(37)29(3,4)39-22-13-11-21(12-14-22)33-27(36)25-17(2)26(18-6-8-19(30)9-7-18)35(34-25)24-15-10-20(31)16-23(24)32/h6-16H,5H2,1-4H3,(H,33,36)
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| InChIKey |
MDCYCOKLZVSKNZ-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