Compound ID	CP0717935
Compound Name	rac-8-(((3R,4R)-3-((1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-methoxy)piperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one     Show/Hide
Structure
Formula	C27H34N4O4S
Molecular Weight	510.66
Canonical SMILES	Cc1cncc(-c2ccc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1     Show/Hide
InChI	InChI=1S/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/m1/s1     Show/Hide
InChIKey	KXXIBIBXJMYWNL-ILBGXUMGSA-N
Physicochemical Property	logP 3.19074 Rotatable Bonds 6 Heavy Atom Count 36 Polar Areas 113.18 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Complexity 36 "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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PubChem ID	CID: 91826679
ChEMBL ID	CHEMBL3590405

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