General Information of the Compound
Compound ID
CP0520125
Compound Name
N-(2-ethoxyethyl)-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide
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Structure
Formula
C18H25N3O4
Molecular Weight
347.415
Canonical SMILES
CCOCCNC(=O)n1c2ccc(cc2oc1=O)C1CCN(C)CC1
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InChI
InChI=1S/C18H25N3O4/c1-3-24-11-8-19-17(22)21-15-5-4-14(12-16(15)25-18(21)23)13-6-9-20(2)10-7-13/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,22)
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InChIKey
DQAMLLSXKXKWFZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.9979
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
76.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 155514396
ChEMBL ID
CHEMBL4440226
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 = 1049 nM
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