General Information of the Compound
| Compound ID |
CP0490892
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| Compound Name |
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
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| Structure |
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| Formula |
C21H15F3N2O
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| Molecular Weight |
368.358
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| Canonical SMILES |
Oc1ccc(cc1)-c1nn(Cc2ccccc2)c2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C21H15F3N2O/c22-21(23,24)18-8-4-7-17-19(15-9-11-16(27)12-10-15)25-26(20(17)18)13-14-5-2-1-3-6-14/h1-12,27H,13H2
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| InChIKey |
DYDWLVOJCJFDBV-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