Compound ID	CP0216543
Compound Name	N-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide     Show/Hide
Structure
Formula	C24H28ClN3O3S2
Molecular Weight	506.093
Canonical SMILES	COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1     Show/Hide
InChI	InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3     Show/Hide
InChIKey	XGBXESVSCSHHQI-UHFFFAOYSA-N
Physicochemical Property	logP 5.34702 Rotatable Bonds 5 Heavy Atom Count 33 Polar Areas 61.88 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Complexity 33 "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: 9892409 SID: 14860164
ChEMBL ID	CHEMBL29410

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