General Information of the Compound
Compound ID
CP0415109
Compound Name
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
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Structure
Formula
C24H21F2N3O3S
Molecular Weight
469.513
Canonical SMILES
CC(=O)Nc1cc(cc2ccn(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
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InChI
InChI=1S/C24H21F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,10,12-15,28H,9,11H2,1H3,(H,27,30)
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InChIKey
JAGJIIDPPPZZJV-UHFFFAOYSA-N
Physicochemical Property
logP
4.9214
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
80.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 122179029
ChEMBL ID
CHEMBL3581718
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 = 2.1 nM
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