General Information of the Compound
Compound ID
CP0575431
Compound Name
N-[4-(4-fluorophenyl)butyl]-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide
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Structure
Formula
C24H28FN3O3
Molecular Weight
425.504
Canonical SMILES
CN1CCC(CC1)c1ccc2n(C(=O)NCCCCc3ccc(F)cc3)c(=O)oc2c1
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InChI
InChI=1S/C24H28FN3O3/c1-27-14-11-18(12-15-27)19-7-10-21-22(16-19)31-24(30)28(21)23(29)26-13-3-2-4-17-5-8-20(25)9-6-17/h5-10,16,18H,2-4,11-15H2,1H3,(H,26,29)
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InChIKey
ZHEWHJLWOYDYLJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1234
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
67.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 155567984
ChEMBL ID
CHEMBL4590615
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 = 94 nM
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