General Information of the Compound
Compound ID
CP0893501
Compound Name
5-(1-Ethyl-1H-indol-5-yl)-N-phenylbenzo[d]oxazol-2-amine
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Structure
Formula
C23H19N3O
Molecular Weight
353.425
Canonical SMILES
CCn1ccc2cc(-c3ccc4oc(Nc5ccccc5)nc4c3)ccc21
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InChI
InChI=1S/C23H19N3O/c1-2-26-13-12-18-14-16(8-10-21(18)26)17-9-11-22-20(15-17)25-23(27-22)24-19-6-4-3-5-7-19/h3-15H,2H2,1H3,(H,24,25)
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InChIKey
ISUJNJHQIOHFBL-UHFFFAOYSA-N
Physicochemical Property
logP
6.213
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
42.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 68657872
ChEMBL ID
CHEMBL3217947
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
Protein ID: PT00961, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 586 nM
   TI
   LI
   LO
   TS