General Information of the Compound
Compound ID
CP0875415
Compound Name
N-{6-[(2,4-Difluorophenyl)sulfamoyl]-2-oxo-3-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazol-4-yl}acetamide
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Structure
Formula
C23H19F2N3O5S
Molecular Weight
487.484
Canonical SMILES
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2oc(=O)n(CCc3ccccc3)c12
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InChI
InChI=1S/C23H19F2N3O5S/c1-14(29)26-20-12-17(34(31,32)27-19-8-7-16(24)11-18(19)25)13-21-22(20)28(23(30)33-21)10-9-15-5-3-2-4-6-15/h2-8,11-13,27H,9-10H2,1H3,(H,26,29)
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InChIKey
OQWWFFJBIFUAKL-UHFFFAOYSA-N
Physicochemical Property
logP
3.8746
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
110.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 122179033
ChEMBL ID
CHEMBL3581722
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 = 2100 nM
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