General Information of the Compound
Compound ID
CP0501414
Compound Name
3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
    Show/Hide
Structure
Formula
C21H21ClN2O2
Molecular Weight
368.864
Canonical SMILES
CCCc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
    Show/Hide
InChI
InChI=1S/C21H21ClN2O2/c1-4-7-15-10-12-16(13-11-15)24(3)21(25)19-14(2)26-23-20(19)17-8-5-6-9-18(17)22/h5-6,8-13H,4,7H2,1-3H3
    Show/Hide
InChIKey
CHDRRISOFKAHLC-UHFFFAOYSA-N
Physicochemical Property
logP
5.53252
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46232411
ChEMBL ID
CHEMBL604524
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: PT02509, G-protein coupled bile acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 6309.57 nM
   TI
   LI
   LO
   TS