General Information of the Compound
| Compound ID |
CP0534032
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| Compound Name |
N-[2-(2,5-difluorophenyl)pyridin-4-yl]-6-(4-methylsulfonylphenyl)quinolin-4-amine
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| Formula |
C27H19F2N3O2S
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| Molecular Weight |
487.531
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c2c1
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| InChI |
InChI=1S/C27H19F2N3O2S/c1-35(33,34)21-6-2-17(3-7-21)18-4-9-25-23(14-18)26(11-13-30-25)32-20-10-12-31-27(16-20)22-15-19(28)5-8-24(22)29/h2-16H,1H3,(H,30,31,32)
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| InChIKey |
FSJSMAYJGSFDSF-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