General Information of the Compound
| Compound ID |
CP0062060
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| Compound Name |
2-[(5-amino-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 |
C21H23F4N3O
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| Molecular Weight |
409.427
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| Canonical SMILES |
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F4N3O/c1-12-4-5-14(22)8-16(12)19(2,3)11-20(29,21(23,24)25)9-15-6-13-7-18(26)27-10-17(13)28-15/h4-8,10,28-29H,9,11H2,1-3H3,(H2,26,27)
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| InChIKey |
VVCVRVUPFSJFRH-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