General Information of the Compound
Compound ID
CP0567516
Compound Name
6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide
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Structure
Formula
C23H27N3O4
Molecular Weight
409.486
Canonical SMILES
CN1CCC(CC1)c1ccc2n(C(=O)NCCOCc3ccccc3)c(=O)oc2c1
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InChI
InChI=1S/C23H27N3O4/c1-25-12-9-18(10-13-25)19-7-8-20-21(15-19)30-23(28)26(20)22(27)24-11-14-29-16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3,(H,24,27)
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InChIKey
FABAOZGFJUSGCJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1782
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
76.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 155513992
ChEMBL ID
CHEMBL4439693
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 = 215 nM
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