General Information of the Compound
| Compound ID |
CP0062059
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| Compound Name |
2-[(5,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
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| Structure |
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| Formula |
C23H26F4N2O2
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| Molecular Weight |
438.465
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| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C23H26F4N2O2/c1-13-8-15-9-17(29-20(15)14(2)28-13)11-22(30,23(25,26)27)12-21(3,4)18-10-16(24)6-7-19(18)31-5/h6-10,29-30H,11-12H2,1-5H3
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| InChIKey |
CXXWEXDTTVWKSJ-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