General Information of the Compound
Compound ID
CP0195511
Compound Name
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C27H21FN6O3S
Molecular Weight
528.569
Canonical SMILES
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
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InChI
InChI=1S/C27H21FN6O3S/c1-32-15-21(30-16-32)24-14-20-25(38-24)23(9-10-29-20)37-22-8-7-17(13-19(22)28)31-26(35)34-12-11-33(27(34)36)18-5-3-2-4-6-18/h2-10,13-16H,11-12H2,1H3,(H,31,35)
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InChIKey
OEUQPIPNLAICFE-UHFFFAOYSA-N
Physicochemical Property
logP
6.1023
Rotatable Bonds
5
Heavy Atom Count
38
Polar Areas
92.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
38

"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: 44564593
ChEMBL ID
CHEMBL462232
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 = 23 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
CL000413 MKN45 Homo sapiens (Human)  1
1
IC50 = 70 nM
   TI
   LI
   LO
   TS
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
CL000119 DU145 Homo sapiens (Human)  1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
2 IC50 = 23 nM
Protein ID: PT00933, Macrophage-stimulating protein receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 170 nM
   TI
   LI
   LO
   TS
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 = 8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM