General Information of the Compound
| Compound ID |
CP0022314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N'-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24FN5O3S
|
||||||||||||||||||
| Molecular Weight |
541.608
|
||||||||||||||||||
| Canonical SMILES |
CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4)cc3F)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24FN5O3S/c1-2-35-16-22(32-17-35)25-15-21-26(39-25)24(10-13-31-21)38-23-9-8-19(14-20(23)30)34-28(37)29(11-12-29)27(36)33-18-6-4-3-5-7-18/h3-10,13-17H,2,11-12H2,1H3,(H,33,36)(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QATOHKJFHXOHIB-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT00864, Vascular endothelial growth factor receptor 2