Compound ID	CP0165719
Compound Name	N-[3-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide     Show/Hide
Structure
Formula	C23H26ClN3O3S2
Molecular Weight	492.066
Canonical SMILES	COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@@H]2C1     Show/Hide
InChI	InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1     Show/Hide
InChIKey	DVALOPXWVWHIHY-GOSISDBHSA-N
Physicochemical Property	logP 4.95692 Rotatable Bonds 5 Heavy Atom Count 32 Polar Areas 61.88 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Complexity 32 "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: 9935387 SID: 14908483
ChEMBL ID	CHEMBL282971

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