General Information of the Compound
| Compound ID |
CP0422094
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| Compound Name |
2-((4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidin-2-yl)methyl)phenol
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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(Cc2ccccc2O)nc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H19FN2O3S/c1-31(29,30)20-12-8-16(9-13-20)21-15-26-23(14-18-4-2-3-5-22(18)28)27-24(21)17-6-10-19(25)11-7-17/h2-13,15,28H,14H2,1H3
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| InChIKey |
IIFVISRCWJATKU-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