General Information of the Compound
| Compound ID |
CP0492586
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| Compound Name |
(4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidin-2-yl)(phenyl)methanol
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| Structure |
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| Formula |
C24H19FN2O3S
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| Molecular Weight |
434.492
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnc(nc1-c1ccc(F)cc1)C(O)c1ccccc1
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| InChI |
InChI=1S/C24H19FN2O3S/c1-31(29,30)20-13-9-16(10-14-20)21-15-26-24(23(28)18-5-3-2-4-6-18)27-22(21)17-7-11-19(25)12-8-17/h2-15,23,28H,1H3
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| InChIKey |
GEQJBYFLKSKJBG-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