General Information of the Compound
| Compound ID |
CP0410584
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| Compound Name |
4-(benzhydrylsulfinylmethyl)-2,6-dimethylpyrimidine
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| Structure |
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| Formula |
C20H20N2OS
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| Molecular Weight |
336.46
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| Canonical SMILES |
Cc1cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)nc(C)n1
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| InChI |
InChI=1S/C20H20N2OS/c1-15-13-19(22-16(2)21-15)14-24(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3
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| InChIKey |
ONARGKCOENPHCA-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