General Information of the Compound
| Compound ID |
CP0261583
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| Compound Name |
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(5-methylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
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| Structure |
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| Formula |
C22H24F4N2O4S
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| Molecular Weight |
488.503
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| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C22H24F4N2O4S/c1-20(2,16-9-14(23)5-6-18(16)32-3)12-21(29,22(24,25)26)10-15-7-13-8-19(33(4,30)31)27-11-17(13)28-15/h5-9,11,28-29H,10,12H2,1-4H3
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| InChIKey |
OVDGYTOZNODCOE-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