General Information of the Compound
| Compound ID |
CP0415725
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| Compound Name |
3-(benzenesulfonyl)-7-benzyl-9-methyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
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| Structure |
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| Formula |
C23H21N3O2S2
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| Molecular Weight |
435.574
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| Canonical SMILES |
CSc1nc2c(C)cc(Cc3ccccc3)cn2c(=N)c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H21N3O2S2/c1-16-13-18(14-17-9-5-3-6-10-17)15-26-21(24)20(23(29-2)25-22(16)26)30(27,28)19-11-7-4-8-12-19/h3-13,15,24H,14H2,1-2H3
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| InChIKey |
JVCGHWFUCDTCHZ-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