General Information of the Compound
| Compound ID |
CP0914013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'1-(7-Ethyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N6S
|
||||||||||||||||||
| Molecular Weight |
354.483
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N6S/c1-2-24-10-5-13-14(11-24)25-18-15(13)17(21-9-6-19)22-16(23-18)12-3-7-20-8-4-12/h3-4,7-8H,2,5-6,9-11,19H2,1H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKVYINCXYHYHEL-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