General Information of the Compound
| Compound ID |
CP0528145
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| Compound Name |
4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
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| Structure |
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| Formula |
C16H13F3N2O2
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| Molecular Weight |
322.286
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| Canonical SMILES |
OCCn1nc(-c2ccc(O)cc2)c2cccc(c12)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3N2O2/c17-16(18,19)13-3-1-2-12-14(10-4-6-11(23)7-5-10)20-21(8-9-22)15(12)13/h1-7,22-23H,8-9H2
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| InChIKey |
OSSCGRZBJBJCLX-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