General Information of the Compound
| Compound ID |
CP0410591
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| Compound Name |
4-(benzhydrylsulfinylmethyl)-2-methyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C19H18N2O2S
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| Molecular Weight |
338.432
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| Canonical SMILES |
Cc1nc(O)cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C19H18N2O2S/c1-14-20-17(12-18(22)21-14)13-24(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3,(H,20,21,22)
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| InChIKey |
CDOQKJHSDKVELR-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