General Information of the Compound
| Compound ID |
CP0410581
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| Compound Name |
2-(benzhydrylsulfinylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C19H15F3N2O2S
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| Molecular Weight |
392.402
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| Canonical SMILES |
Oc1cc(nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C19H15F3N2O2S/c20-19(21,22)15-11-17(25)24-16(23-15)12-27(26)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H,23,24,25)
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| InChIKey |
OCDFCLVIFAPPIE-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