General Information of the Compound
| Compound ID |
CP0269536
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| Compound Name |
3-[4,4,4-Trifluoro-3-hydroxy-1,1-dimethyl-3-(1H-pyrrolo-[2,3-c]pyridin-2-ylmethyl)butyl]biphenyl-4-ol
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| Structure |
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| Formula |
C26H25F3N2O2
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| Molecular Weight |
454.492
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1ccccc1
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| InChI |
InChI=1S/C26H25F3N2O2/c1-24(2,21-13-18(8-9-23(21)32)17-6-4-3-5-7-17)16-25(33,26(27,28)29)14-20-12-19-10-11-30-15-22(19)31-20/h3-13,15,31-33H,14,16H2,1-2H3
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| InChIKey |
ZCEACWHBZXPKIT-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