General Information of the Compound
| Compound ID |
CP0114668
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| Compound Name |
4-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-chlorophenol
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| Structure |
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| Formula |
C19H18Cl2N2O
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| Molecular Weight |
361.272
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| Canonical SMILES |
CC(C)(C)c1cc(-c2ccc(O)c(Cl)c2)n(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18Cl2N2O/c1-19(2,3)18-11-16(12-4-9-17(24)15(21)10-12)23(22-18)14-7-5-13(20)6-8-14/h4-11,24H,1-3H3
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| InChIKey |
ZLRFODVXGAQAGF-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