General Information of the Compound
| Compound ID |
CP0139871
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| Compound Name |
4-[5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol
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| Structure |
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| Formula |
C20H21F3N2O
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| Molecular Weight |
362.395
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| Canonical SMILES |
CC(C)(C)C1=NN(C(C1)c1ccc(O)cc1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F3N2O/c1-19(2,3)18-12-17(13-7-9-16(26)10-8-13)25(24-18)15-6-4-5-14(11-15)20(21,22)23/h4-11,17,26H,12H2,1-3H3
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| InChIKey |
DNQXPQJJJOHBAO-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