General Information of the Compound
Compound ID
CP0508921
Compound Name
US9169224, G
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Structure
Formula
C19H20FN3O3
Molecular Weight
357.385
Canonical SMILES
Fc1ccc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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InChI
InChI=1S/C19H20FN3O3/c20-15-2-4-16(5-3-15)21-19(24)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)26-13-25-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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InChIKey
IKMVAUXBOXCIJH-UHFFFAOYSA-N
Physicochemical Property
logP
2.9041
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
54.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 1079407
ChEMBL ID
CHEMBL3892190
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
IC50 = 10000 nM
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