General Information of the Compound
Compound ID
CP0168630
Compound Name
1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(thiophen-3-yl)urea
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Structure
Formula
C18H14N4OS2
Molecular Weight
366.471
Canonical SMILES
Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12
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InChI
InChI=1S/C18H14N4OS2/c19-17-16-14(10-25-15(16)5-7-20-17)11-1-3-12(4-2-11)21-18(23)22-13-6-8-24-9-13/h1-10H,(H2,19,20)(H2,21,22,23)
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InChIKey
ZYKJTRDHLUBWPF-UHFFFAOYSA-N
Physicochemical Property
logP
5.251
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
80.04
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 18451391
ChEMBL ID
CHEMBL231412
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 = 61 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 38 nM