General Information of the Compound
Compound ID
CP0402448
Compound Name
US10174015, Compound 31
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Structure
Formula
C15H19NO4
Molecular Weight
277.32
Canonical SMILES
Oc1ccc(CCCCCC(=O)N2CCOC2=O)cc1
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InChI
InChI=1S/C15H19NO4/c17-13-8-6-12(7-9-13)4-2-1-3-5-14(18)16-10-11-20-15(16)19/h6-9,17H,1-5,10-11H2
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InChIKey
DHWUVTVUAVGPBO-UHFFFAOYSA-N
Physicochemical Property
logP
2.4739
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
66.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 132141208
ChEMBL ID
CHEMBL4211433
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: PT03047, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 61 nM
   TI
   LI
   LO
   TS
Protein ID: PT03010, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 61 nM
   TI
   LI
   LO
   TS