General Information of the Compound
Compound ID
CP0023435
Compound Name
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
    Show/Hide
Structure
Formula
C19H18N4O2
Molecular Weight
334.379
Canonical SMILES
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
    Show/Hide
InChI
InChI=1S/C19H18N4O2/c1-11-19(12(2)25-23-11)16-8-13-10-20-18(9-15(13)21-16)22-14-6-4-5-7-17(14)24-3/h4-10,21H,1-3H3,(H,20,22)
    Show/Hide
InChIKey
RYIUOAMMKCYEPW-UHFFFAOYSA-N
Physicochemical Property
logP
4.58694
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
75.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 76328435
ChEMBL ID
CHEMBL3109963
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: PT01348, Dual specificity protein kinase TTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS