General Information of the Compound
| Compound ID |
CP0073709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22FN5O2S2
|
||||||||||||||||||
| Molecular Weight |
531.638
|
||||||||||||||||||
| Canonical SMILES |
CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22FN5O2S2/c1-2-33-15-21(30-16-33)24-14-20-26(37-24)23(10-11-29-20)35-22-9-8-18(13-19(22)28)31-27(36)32-25(34)12-17-6-4-3-5-7-17/h3-11,13-16H,2,12H2,1H3,(H2,31,32,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWHNQRWVPROBIY-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