General Information of the Compound
Compound ID
CP0488292
Compound Name
5-[(2,4-difluorophenyl)sulfamoyl]-7-(2-oxoimidazolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C25H20F5N5O4S
Molecular Weight
581.523
Canonical SMILES
Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)Nc4ccc(cc4)C(F)(F)F)c3c(c2)N2CCNC2=O)c(F)c1
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InChI
InChI=1S/C25H20F5N5O4S/c26-16-3-6-20(19(27)12-16)33-40(38,39)18-11-14-7-9-35(22(14)21(13-18)34-10-8-31-23(34)36)24(37)32-17-4-1-15(2-5-17)25(28,29)30/h1-6,11-13,33H,7-10H2,(H,31,36)(H,32,37)
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InChIKey
YVXDLDVRCSNFPF-UHFFFAOYSA-N
Physicochemical Property
logP
4.9086
Rotatable Bonds
5
Heavy Atom Count
40
Polar Areas
110.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
40

"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: 122179046
ChEMBL ID
CHEMBL3581736
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 = 2.5 nM
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