General Information of the Compound
| Compound ID |
CP0415730
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| Compound Name |
2-methylsulfanyl-3-[4-(trifluoromethoxy)phenyl]sulfonylpyrido[1,2-a]pyrimidin-4-imine
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| Structure |
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| Formula |
C16H12F3N3O3S2
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| Molecular Weight |
415.418
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| Canonical SMILES |
CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C16H12F3N3O3S2/c1-26-15-13(14(20)22-9-3-2-4-12(22)21-15)27(23,24)11-7-5-10(6-8-11)25-16(17,18)19/h2-9,20H,1H3
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| InChIKey |
QZNRHAWJRNRULQ-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