General Information of the Compound
Compound ID
CP0202726
Compound Name
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
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Structure
Formula
C19H15ClN6O
Molecular Weight
378.823
Canonical SMILES
Nc1[nH]nc2ccnc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
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InChI
InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)17-16-15(8-9-22-17)25-26-18(16)21/h1-10H,(H3,21,25,26)(H2,23,24,27)
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InChIKey
LQMRUEJGBJTXNT-UHFFFAOYSA-N
Physicochemical Property
logP
4.5045
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
108.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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: 11523735
SID: 16625718
ChEMBL ID
CHEMBL256825
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 = 46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12 nM