General Information of the Compound
| Compound ID |
CP0363770
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| Compound Name |
3-Benzenesulfonyl-9-bromo-7-methyl-2-methylsulfanyl-pyrido[1,2-a]pyrimidin-(4Z)-ylideneamine
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| Structure |
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| Formula |
C16H14BrN3O2S2
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| Molecular Weight |
424.345
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| Canonical SMILES |
CSc1nc2c(Br)cc(C)cn2c(=N)c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H14BrN3O2S2/c1-10-8-12(17)15-19-16(23-2)13(14(18)20(15)9-10)24(21,22)11-6-4-3-5-7-11/h3-9,18H,1-2H3
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| InChIKey |
XMOCSXAWAVOKMT-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