General Information of the Compound
Compound ID
CP0218987
Compound Name
N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C31H23FN4O4S
Molecular Weight
566.614
Canonical SMILES
CC(=O)c1cccc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
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InChI
InChI=1S/C31H23FN4O4S/c1-19(37)20-6-5-7-21(16-20)28-18-25-29(41-28)27(12-13-33-25)40-26-11-10-22(17-24(26)32)34-30(38)36-15-14-35(31(36)39)23-8-3-2-4-9-23/h2-13,16-18H,14-15H2,1H3,(H,34,38)
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InChIKey
FOSNOEXXSOQKEV-UHFFFAOYSA-N
Physicochemical Property
logP
7.5714
Rotatable Bonds
6
Heavy Atom Count
41
Polar Areas
91.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
41

"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: 44564669
ChEMBL ID
CHEMBL448993
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 270 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 200 nM
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 880 nM
   TI
   LI
   LO
   TS