General Information of the Compound
Compound ID
CP0537134
Compound Name
6-morpholin-4-yl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
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Structure
Formula
C22H25N3O4
Molecular Weight
395.459
Canonical SMILES
O=C(NCCCCc1ccccc1)n1c2ccc(cc2oc1=O)N1CCOCC1
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InChI
InChI=1S/C22H25N3O4/c26-21(23-11-5-4-8-17-6-2-1-3-7-17)25-19-10-9-18(16-20(19)29-22(25)27)24-12-14-28-15-13-24/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,26)
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InChIKey
CQJVVHKLKHJTSE-UHFFFAOYSA-N
Physicochemical Property
logP
3.0117
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
76.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 155566642
ChEMBL ID
CHEMBL4587060
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 = 192 nM
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