General Information of the Compound
| Compound ID |
CP0510934
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| Compound Name |
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
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| Structure |
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| Formula |
C24H28F4N2O2
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| Molecular Weight |
452.492
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| Canonical SMILES |
CC(C)Oc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
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| InChI |
InChI=1S/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3
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| InChIKey |
PHUOGFXDMSBGIK-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