General Information of the Compound
Compound ID
CP0882903
Compound Name
N-(5-(N-(2,4-difluorophenyl)sulfamoyl)-1-(3-phenylpropyl)indolin-7-yl)acetamide
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Structure
Formula
C25H25F2N3O3S
Molecular Weight
485.556
Canonical SMILES
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCCc1ccccc1)CC2
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InChI
InChI=1S/C25H25F2N3O3S/c1-17(31)28-24-16-21(34(32,33)29-23-10-9-20(26)15-22(23)27)14-19-11-13-30(25(19)24)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,14-16,29H,5,8,11-13H2,1H3,(H,28,31)
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InChIKey
AFZQRJFFVGYHPD-UHFFFAOYSA-N
Physicochemical Property
logP
4.7193
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 122179035
ChEMBL ID
CHEMBL3581724
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 = 3.7 nM
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