General Information of the Compound
| Compound ID |
CP0205639
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-fluoro-4-{[2-(pyrimidin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H18FN5O2S2
|
||||||||||||||||||
| Molecular Weight |
515.595
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H18FN5O2S2/c27-18-14-17(31-26(35)32-23(33)13-16-5-2-1-3-6-16)7-8-20(18)34-21-9-12-28-19-15-22(36-24(19)21)25-29-10-4-11-30-25/h1-12,14-15H,13H2,(H2,31,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQGHLFSTBDILLT-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