General Information of the Compound
Compound ID
CP0445211
Compound Name
5-[(2,4-difluorophenyl)sulfamoyl]-N-(4-fluorophenyl)-7-(2-oxopyrrolidin-1-yl)-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C25H21F3N4O4S
Molecular Weight
530.528
Canonical SMILES
Fc1ccc(NC(=O)N2CCc3cc(cc(N4CCCC4=O)c23)S(=O)(=O)Nc2ccc(F)cc2F)cc1
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InChI
InChI=1S/C25H21F3N4O4S/c26-16-3-6-18(7-4-16)29-25(34)32-11-9-15-12-19(14-22(24(15)32)31-10-1-2-23(31)33)37(35,36)30-21-8-5-17(27)13-20(21)28/h3-8,12-14,30H,1-2,9-11H2,(H,29,34)
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InChIKey
LOMJQLZSGZAKFT-UHFFFAOYSA-N
Physicochemical Property
logP
4.6261
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
98.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 122179044
ChEMBL ID
CHEMBL3581733
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 = 28 nM
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