General Information of the Compound
| Compound ID |
CP0300127
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| Compound Name |
2-[[5-(dimethylamino)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methylpentan-2-ol
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| Structure |
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| Formula |
C23H27F4N3O
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| Molecular Weight |
437.481
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| Canonical SMILES |
CN(C)c1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
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| InChI |
InChI=1S/C23H27F4N3O/c1-14-6-7-16(24)10-18(14)21(2,3)13-22(31,23(25,26)27)11-17-8-15-9-20(30(4)5)28-12-19(15)29-17/h6-10,12,29,31H,11,13H2,1-5H3
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| InChIKey |
GJXAQWRUPWTIBX-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