General Information of the Compound
| Compound ID |
CP0410589
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| Compound Name |
2-(benzhydrylsulfinylmethyl)-4-methoxy-6-methylpyrimidine
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| Structure |
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| Formula |
C20H20N2O2S
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| Molecular Weight |
352.459
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| Canonical SMILES |
COc1cc(C)nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C20H20N2O2S/c1-15-13-19(24-2)22-18(21-15)14-25(23)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,20H,14H2,1-2H3
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| InChIKey |
OXMNZQJRXULMRY-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