General Information of the Compound
Compound ID
CP0481396
Compound Name
N-(1-methoxy-3-phenylpropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
    Show/Hide
Structure
Formula
C27H30N4O2
Molecular Weight
442.563
Canonical SMILES
COCC(Cc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C
    Show/Hide
InChI
InChI=1S/C27H30N4O2/c1-18(2)21-10-12-22(13-11-21)25-16-29-31-19(3)24(15-28-26(25)31)27(32)30-23(17-33-4)14-20-8-6-5-7-9-20/h5-13,15-16,18,23H,14,17H2,1-4H3,(H,30,32)
    Show/Hide
InChIKey
CKMVPHVWDXGMBF-UHFFFAOYSA-N
Physicochemical Property
logP
4.81562
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 44579780
ChEMBL ID
CHEMBL492027
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1400 nM
   TI
   LI
   LO
   TS