General Information of the Compound
Compound ID
CP0575673
Compound Name
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
    Show/Hide
Structure
Formula
C22H20N6O3
Molecular Weight
416.441
Canonical SMILES
O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3ncnc4CNCCc34)ccc12
    Show/Hide
InChI
InChI=1S/C22H20N6O3/c29-22(26-20-10-19(31-27-20)13-1-2-13)28-8-6-14-9-15(3-4-18(14)28)30-21-16-5-7-23-11-17(16)24-12-25-21/h3-4,6,8-10,12-13,23H,1-2,5,7,11H2,(H,26,27,29)
    Show/Hide
InChIKey
HOFIJJHPMWDMBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.8149
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
107.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 59394496
ChEMBL ID
CHEMBL4065713
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS