General Information of the Compound
Compound ID
CP0962033
Compound Name
N-cyclohexyl-5-(1-(oxetan-3-yl)-1H-indol-5-yl)benzo[d]oxazol-2-amine
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Structure
Formula
C24H25N3O2
Molecular Weight
387.483
Canonical SMILES
c1cc2c(ccn2C2COC2)cc1-c1ccc2oc(NC3CCCCC3)nc2c1
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InChI
InChI=1S/C24H25N3O2/c1-2-4-19(5-3-1)25-24-26-21-13-17(7-9-23(21)29-24)16-6-8-22-18(12-16)10-11-27(22)20-14-28-15-20/h6-13,19-20H,1-5,14-15H2,(H,25,26)
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InChIKey
ATNLCKBJTFOCRR-UHFFFAOYSA-N
Physicochemical Property
logP
5.7654
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
52.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 68657958
ChEMBL ID
CHEMBL3222173
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 = 579 nM
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