General Information of the Compound
| Compound ID |
CP0503360
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| Compound Name |
6-(2-methoxyphenyl)-2-(4-(trifluoromethyl)phenyl)-1,2-dihydroindazol-3-one
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| Structure |
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| Formula |
C21H15F3N2O2
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| Molecular Weight |
384.357
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| Canonical SMILES |
COc1ccccc1-c1ccc2c(c1)[nH]n(-c1ccc(cc1)C(F)(F)F)c2=O
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| InChI |
InChI=1S/C21H15F3N2O2/c1-28-19-5-3-2-4-16(19)13-6-11-17-18(12-13)25-26(20(17)27)15-9-7-14(8-10-15)21(22,23)24/h2-12,25H,1H3
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| InChIKey |
DINMMAYTUYCAMR-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