General Information of the Compound
Compound ID
CP0564143
Compound Name
2-oxo-4-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole-3-carboxamide
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Structure
Formula
C24H22N2O3
Molecular Weight
386.451
Canonical SMILES
O=C(NCCCCc1ccccc1)n1c2c(cccc2oc1=O)-c1ccccc1
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InChI
InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-22-20(19-13-5-2-6-14-19)15-9-16-21(22)29-24(26)28/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
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InChIKey
BYOZXGAZKBZKNM-UHFFFAOYSA-N
Physicochemical Property
logP
4.8421
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
64.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 118513812
ChEMBL ID
CHEMBL3741996
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 = 0.8 nM
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