General Information of the Compound
| Compound ID |
CP0048071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20N6OS
|
||||||||||||||||||
| Molecular Weight |
452.543
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cncnc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20N6OS/c1-15-3-2-4-19(9-15)31-25(32)30-18-7-5-16(6-8-18)21-13-33-23-20(12-29-24(26)22(21)23)17-10-27-14-28-11-17/h2-14H,1H3,(H2,26,29)(H2,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBXVZMIZJGLIRS-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