General Information of the Compound
Compound ID
CP0534948
Compound Name
6-(4-fluorophenyl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide
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Structure
Formula
C19H19FN2O3
Molecular Weight
342.37
Canonical SMILES
CCCCCNC(=O)n1c2ccc(cc2oc1=O)-c1ccc(F)cc1
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InChI
InChI=1S/C19H19FN2O3/c1-2-3-4-11-21-18(23)22-16-10-7-14(12-17(16)25-19(22)24)13-5-8-15(20)9-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,23)
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InChIKey
XUZCRZZNANSFFI-UHFFFAOYSA-N
Physicochemical Property
logP
4.1485
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
64.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 155539632
ChEMBL ID
CHEMBL4515178
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 = 60 nM
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