General Information of the Compound
| Compound ID |
CP0874234
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'1-Methyl-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5S
|
||||||||||||||||||
| Molecular Weight |
339.468
|
||||||||||||||||||
| Canonical SMILES |
CN(CCN)c1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5S/c1-23(11-8-19)17-15-13-4-2-3-5-14(13)24-18(15)22-16(21-17)12-6-9-20-10-7-12/h6-7,9-10H,2-5,8,11,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFHLXHTYZSASPK-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