General Information of the Compound
| Compound ID |
CP0458286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-2-(cyclopropylamino)-4-[3-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N7O2S
|
||||||||||||||||||
| Molecular Weight |
459.535
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(NC(=O)Nc4ccccc4)c3)c2c1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N7O2S/c24-17-16-18(29-22(26-14-9-10-14)30-21(16)33-19(17)20(25)31)12-5-4-8-15(11-12)28-23(32)27-13-6-2-1-3-7-13/h1-8,11,14H,9-10,24H2,(H2,25,31)(H,26,29,30)(H2,27,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXXXCHFVIAQAAK-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