General Information of the Compound
Compound ID
CP0224319
Compound Name
7-Amino-6-[4-(3-m-tolylureido)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester
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Structure
Formula
C23H22N6O3
Molecular Weight
430.468
Canonical SMILES
CCOC(=O)c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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InChI
InChI=1S/C23H22N6O3/c1-3-32-22(30)19-13-26-29-20(24)18(12-25-21(19)29)15-7-9-16(10-8-15)27-23(31)28-17-6-4-5-14(2)11-17/h4-13H,3,24H2,1-2H3,(H2,27,28,31)
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InChIKey
GWZXHHYGWCEZQN-UHFFFAOYSA-N
Physicochemical Property
logP
4.10762
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
123.64
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
32

"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).

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PubChem ID
CID: 24894621
SID: 53778831
ChEMBL ID
CHEMBL507533
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 = 220 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 25 nM