General Information of the Compound
| Compound ID |
CP0896812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Pyridin-4-yl-4-((S)-1-pyrrolidin-2-ylmethoxy)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4OS
|
||||||||||||||||||
| Molecular Weight |
366.49
|
||||||||||||||||||
| Canonical SMILES |
c1cc(-c2nc(OC[C@@H]3CCCN3)c3c4c(sc3n2)CCCC4)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4OS/c1-2-6-16-15(5-1)17-19(25-12-14-4-3-9-22-14)23-18(24-20(17)26-16)13-7-10-21-11-8-13/h7-8,10-11,14,22H,1-6,9,12H2/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULTCRHWVTDFLKD-AWEZNQCLSA-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