General Information of the Compound
| Compound ID |
CP0562477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{2-[4-(3-chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClN5O2S
|
||||||||||||||||||
| Molecular Weight |
474.03
|
||||||||||||||||||
| Canonical SMILES |
COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28ClN5O2S/c1-26-7-6-16-19(14-26)32-22-20(16)23(30)29(15-25-22)13-10-27-8-11-28(12-9-27)18-5-3-4-17(24)21(18)31-2/h3-5,15H,6-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSXHCXUYOMDHEJ-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