General Information of the Compound
Compound ID
CP0570200
Compound Name
N,3,5-trimethyl-4-[7-methyl-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
    Show/Hide
Structure
Formula
C26H32N4O3
Molecular Weight
448.567
Canonical SMILES
CCC(=O)N1CCOC(Cc2c(nc3cc(C)ccn23)-c2c(C)cc(cc2C)C(=O)NC)C1
    Show/Hide
InChI
InChI=1S/C26H32N4O3/c1-6-23(31)29-9-10-33-20(15-29)14-21-25(28-22-11-16(2)7-8-30(21)22)24-17(3)12-19(13-18(24)4)26(32)27-5/h7-8,11-13,20H,6,9-10,14-15H2,1-5H3,(H,27,32)
    Show/Hide
InChIKey
IPSGCXWQMHMOKK-UHFFFAOYSA-N
Physicochemical Property
logP
3.46606
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
75.94
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: 168282658
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: PT03393, P2X purinoceptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS