General Information of the Compound
Compound ID
CP0466858
Compound Name
5-(4-phenylbenzyl)oxazole-4-carboxamide, 6q
    Show/Hide
Structure
Formula
C23H26N4O3
Molecular Weight
406.486
Canonical SMILES
CN(C)CCNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
    Show/Hide
InChI
InChI=1S/C23H26N4O3/c1-16(28)26-20-6-4-5-19(14-20)18-9-7-17(8-10-18)13-21-22(25-15-30-21)23(29)24-11-12-27(2)3/h4-10,14-15H,11-13H2,1-3H3,(H,24,29)(H,26,28)
    Show/Hide
InChIKey
LZXJAIUJLPGFAO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1822
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
87.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 24901451
ChEMBL ID
CHEMBL399000
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: PT02279, Prostacyclin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000082 HEL Homo sapiens (Human)  1
1
IC50 = 3306 nM
   TI
   LI
   LO
   TS