General Information of the Compound
Compound ID
CP0254788
Compound Name
1-[4-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-m-tolylurea
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Structure
Formula
C20H18N6O
Molecular Weight
358.405
Canonical SMILES
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cnc3ccnn3c2N)c1
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InChI
InChI=1S/C20H18N6O/c1-13-3-2-4-16(11-13)25-20(27)24-15-7-5-14(6-8-15)17-12-22-18-9-10-23-26(18)19(17)21/h2-12H,21H2,1H3,(H2,24,25,27)
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InChIKey
QQKMHMVISILPIQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.93092
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
97.34
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 24894509
SID: 53778717
ChEMBL ID
CHEMBL472302
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 = 47 nM