General Information of the Compound
| Compound ID |
CP0951320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-Benzyl-2-(9-chloro-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidin-4-yloxy)-ethylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19ClN4OS
|
||||||||||||||||||
| Molecular Weight |
446.963
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](COc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19ClN4OS/c25-18-7-4-8-19-20(18)21-22(31-19)24(29-23(28-21)16-9-11-27-12-10-16)30-14-17(26)13-15-5-2-1-3-6-15/h1-12,17H,13-14,26H2/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKMSVTYHKLAMPK-QGZVFWFLSA-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