General Information of the Compound
Compound ID
CP0199080
Compound Name
1-[4-(7-Amino-3-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-6-yl)-phenyl]-3-m-tolyl-urea
    Show/Hide
Structure
Formula
C25H21N7O
Molecular Weight
435.491
Canonical SMILES
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cnc3c(cnn3c2N)-c2cccnc2)c1
    Show/Hide
InChI
InChI=1S/C25H21N7O/c1-16-4-2-6-20(12-16)31-25(33)30-19-9-7-17(8-10-19)21-14-28-24-22(15-29-32(24)23(21)26)18-5-3-11-27-13-18/h2-15H,26H2,1H3,(H2,30,31,33)
    Show/Hide
InChIKey
OWTFOFUWOXVMDN-UHFFFAOYSA-N
Physicochemical Property
logP
4.99292
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
110.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 24894408
SID: 53778616
ChEMBL ID
CHEMBL453578
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
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM