General Information of the Compound
| Compound ID |
CP0850686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidine-7-carboxylic acid diethylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N6OS
|
||||||||||||||||||
| Molecular Weight |
460.607
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N6OS/c1-3-31(4-2)25(32)20-16-33-22-21(20)29-23(18-10-12-27-13-11-18)30-24(22)28-15-19(26)14-17-8-6-5-7-9-17/h5-13,16,19H,3-4,14-15,26H2,1-2H3,(H,28,29,30)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQVONNAIRLARBB-IBGZPJMESA-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