General Information of the Compound
| Compound ID |
CP0123475
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| Compound Name |
1,1,1-Trifluoro-4-methyl-4-phenyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-ol
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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)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C20H21F3N2O/c1-18(2,15-6-4-3-5-7-15)13-19(26,20(21,22)23)11-16-10-14-8-9-24-12-17(14)25-16/h3-10,12,25-26H,11,13H2,1-2H3
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| InChIKey |
ULOAOMMDFZMTER-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