Compound ID	CP0651910
Compound Name	8-(((3R,4R)-3-((1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-methoxy)-1-methylpiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one     Show/Hide
Structure
Formula	C27H35N5O4S
Molecular Weight	525.675
Canonical SMILES	Cc1cncc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1     Show/Hide
InChI	InChI=1S/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/m1/s1     Show/Hide
InChIKey	BTTCKSLDCMBUAH-DNQXCXABSA-N
Physicochemical Property	logP 2.92794 Rotatable Bonds 6 Heavy Atom Count 37 Polar Areas 117.28 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Complexity 37 "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: 122181572
ChEMBL ID	CHEMBL3590408

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