General Information of the Compound
Compound ID
CP0494279
Compound Name
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-phenyl-1,2-oxazol-5-amine
    Show/Hide
Structure
Formula
C24H23N3O2
Molecular Weight
385.467
Canonical SMILES
CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(no1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C24H23N3O2/c1-24(2,3)18-12-7-8-14-21(18)28-23-19(13-9-15-25-23)26-22-16-20(27-29-22)17-10-5-4-6-11-17/h4-16,26H,1-3H3
    Show/Hide
InChIKey
HCPQDQQGVJPXDV-UHFFFAOYSA-N
Physicochemical Property
logP
6.57
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
60.18
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71655367
ChEMBL ID
CHEMBL2393220
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: PT01877, P2Y purinoceptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 23 nM
   TI
   LI
   LO
   TS