Compound ID	CP0379280
Compound Name	2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide     Show/Hide
Structure
Formula	C28H30N4O4S
Molecular Weight	518.639
Canonical SMILES	NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1     Show/Hide
InChI	InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)     Show/Hide
InChIKey	KWZBJWOQFABHPF-UHFFFAOYSA-N
Physicochemical Property	logP 3.5683 Rotatable Bonds 9 Heavy Atom Count 37 Polar Areas 97.87 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 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: 71151588 SID: 163487637
ChEMBL ID	CHEMBL3409256

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