General Information of the Compound
Compound ID
CP0868923
Compound Name
N-{5-[(4-Methoxyphenyl)sulfamoyl]-1-(2-phenylethyl)-2,3-dihydro-1H-indol-7-yl}acetamide
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Structure
Formula
C25H27N3O4S
Molecular Weight
465.575
Canonical SMILES
COc1ccc(NS(=O)(=O)c2cc3c(c(NC(C)=O)c2)N(CCc2ccccc2)CC3)cc1
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InChI
InChI=1S/C25H27N3O4S/c1-18(29)26-24-17-23(33(30,31)27-21-8-10-22(32-2)11-9-21)16-20-13-15-28(25(20)24)14-12-19-6-4-3-5-7-19/h3-11,16-17,27H,12-15H2,1-2H3,(H,26,29)
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InChIKey
ITVARKOREZHHNE-UHFFFAOYSA-N
Physicochemical Property
logP
4.0596
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 122179026
ChEMBL ID
CHEMBL3581715
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03938, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000742 FreeStyle 293-F Homo sapiens (Human)  1
1
IC50 = 2.2 nM
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