General Information of the Compound
| Compound ID |
CP0077182
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| Compound Name |
7-(4-morpholin-4-ylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C23H24N4O3S
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| Molecular Weight |
436.537
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| Canonical SMILES |
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
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| InChI |
InChI=1S/C23H24N4O3S/c1-16(2)26-23-19(14-24)15-25-22-13-18(5-8-21(22)23)17-3-6-20(7-4-17)31(28,29)27-9-11-30-12-10-27/h3-8,13,15-16H,9-12H2,1-2H3,(H,25,26)
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| InChIKey |
BAGFSYPSZHITKL-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