General Information of the Compound
Compound ID
CP0570963
Compound Name
5-acetyl-2-oxo-N-(4-phenylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-3-carboxamide
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Structure
Formula
C19H23N3O4
Molecular Weight
357.41
Canonical SMILES
CC(=O)N1CCc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2C1
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InChI
InChI=1S/C19H23N3O4/c1-14(23)21-12-10-17-16(13-21)22(19(25)26-17)18(24)20-11-6-5-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,24)
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InChIKey
IDWNECZAZXVXPG-UHFFFAOYSA-N
Physicochemical Property
logP
1.9265
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
84.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 155520211
ChEMBL ID
CHEMBL4448689
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 = 293 nM
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