Compound ID	CP0113176
Compound Name	5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide     Show/Hide
Structure
Formula	C21H24ClN3O3S2
Molecular Weight	466.028
Canonical SMILES	COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1     Show/Hide
InChI	InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3     Show/Hide
InChIKey	ZINLARKOVIPOJW-UHFFFAOYSA-N
Physicochemical Property	logP 4.42432 Rotatable Bonds 5 Heavy Atom Count 30 Polar Areas 61.88 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Complexity 30 "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: 6918648 SID: 16861957
ChEMBL ID	CHEMBL29846

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