General Information of the Compound
| Compound ID |
CP0465126
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| Compound Name |
6-(3-methylpyridin-2-yl)-2-(4-(trifluoromethyl)phenyl)-1,2-dihydroindazol-3-one
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| Structure |
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| Formula |
C20H14F3N3O
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| Molecular Weight |
369.346
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| Canonical SMILES |
Cc1cccnc1-c1ccc2c(c1)[nH]n(-c1ccc(cc1)C(F)(F)F)c2=O
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| InChI |
InChI=1S/C20H14F3N3O/c1-12-3-2-10-24-18(12)13-4-9-16-17(11-13)25-26(19(16)27)15-7-5-14(6-8-15)20(21,22)23/h2-11,25H,1H3
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| InChIKey |
NDCDEIBRKPCRDY-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