General Information of the Compound
| Compound ID |
CP0390761
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| Compound Name |
N-[2-chloro-5-[4-(4-hydroxypiperidin-1-yl)quinolin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C25H22ClFN4O3S
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| Molecular Weight |
512.994
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| Canonical SMILES |
OC1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C25H22ClFN4O3S/c26-25-23(30-35(33,34)20-4-2-18(27)3-5-20)14-17(15-29-25)16-1-6-22-21(13-16)24(7-10-28-22)31-11-8-19(32)9-12-31/h1-7,10,13-15,19,30,32H,8-9,11-12H2
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| InChIKey |
LGDWBXISXWXDQF-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform