General Information of the Compound
Compound ID
CP0406914
Compound Name
5-(4-fluorophenyl)-2-oxo-N- (4-phenylbutyl)-1,3- benzoxazole-3-carboxamide
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Structure
Formula
C24H21FN2O3
Molecular Weight
404.441
Canonical SMILES
Fc1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
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InChI
InChI=1S/C24H21FN2O3/c25-20-12-9-18(10-13-20)19-11-14-22-21(16-19)27(24(29)30-22)23(28)26-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28)
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InChIKey
KUAOCWKHXSPOMB-UHFFFAOYSA-N
Physicochemical Property
logP
4.9812
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
64.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 118513832
ChEMBL ID
CHEMBL3739598
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: PT04305, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 56 nM
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