General Information of the Compound
| Compound ID |
CP0487047
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| Compound Name |
3-(benzenesulfonyl)-9-benzyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
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| Structure |
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| Formula |
C22H19N3O2S2
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| Molecular Weight |
421.547
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| Canonical SMILES |
CSc1nc2c(Cc3ccccc3)cccn2c(=N)c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H19N3O2S2/c1-28-22-19(29(26,27)18-12-6-3-7-13-18)20(23)25-14-8-11-17(21(25)24-22)15-16-9-4-2-5-10-16/h2-14,23H,15H2,1H3
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| InChIKey |
OTEMCZFGFGQNIJ-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