General Information of the Compound
Compound ID
CP0402447
Compound Name
US10174015, Compound 41
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Structure
Formula
C16H13NO4
Molecular Weight
283.283
Canonical SMILES
O=C(N1CCOC1=O)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C16H13NO4/c18-15(17-10-11-20-16(17)19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9H,10-11H2
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InChIKey
ZCWCYFRLHJOVFC-UHFFFAOYSA-N
Physicochemical Property
logP
3.0713
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 132141213
ChEMBL ID
CHEMBL4205848
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: 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 = 680 nM
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