General Information of the Compound
Compound ID
CP0375437
Compound Name
1-(4-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
    Show/Hide
Structure
Formula
C20H14F4N6O
Molecular Weight
430.365
Canonical SMILES
Nc1c(cnc2ccnn12)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
    Show/Hide
InChI
InChI=1S/C20H14F4N6O/c21-15-6-3-12(20(22,23)24)9-16(15)29-19(31)28-13-4-1-11(2-5-13)14-10-26-17-7-8-27-30(17)18(14)25/h1-10H,25H2,(H2,28,29,31)
    Show/Hide
InChIKey
GXDRFZPZFZKPSR-UHFFFAOYSA-N
Physicochemical Property
logP
4.7804
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
97.34
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 24894184
SID: 53778404
ChEMBL ID
CHEMBL452284
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 = 70 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM