General Information of the Compound
Compound ID
CP0564145
Compound Name
2-oxo-N-[4-(p-tolyl)butyl]- 1,3-benzoxazole-3- carboxamide
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Structure
Formula
C19H20N2O3
Molecular Weight
324.38
Canonical SMILES
Cc1ccc(CCCCNC(=O)n2c3ccccc3oc2=O)cc1
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InChI
InChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)6-4-5-13-20-18(22)21-16-7-2-3-8-17(16)24-19(21)23/h2-3,7-12H,4-6,13H2,1H3,(H,20,22)
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InChIKey
GAJRNVNAABIKKD-UHFFFAOYSA-N
Physicochemical Property
logP
3.48352
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
64.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 118513818
ChEMBL ID
CHEMBL3739956
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 = 25 nM
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