General Information of the Compound
Compound ID
CP0415108
Compound Name
N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide
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Structure
Formula
C23H21F2N3O3S
Molecular Weight
457.502
Canonical SMILES
CC(=O)Nc1cc(cc2CCN(Cc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
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InChI
InChI=1S/C23H21F2N3O3S/c1-15(29)26-22-13-19(32(30,31)27-21-8-7-18(24)12-20(21)25)11-17-9-10-28(23(17)22)14-16-5-3-2-4-6-16/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,29)
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InChIKey
IIRWXQAVENQCMZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2867
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 122179034
ChEMBL ID
CHEMBL3581723
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 = 23 nM
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