General Information of the Compound
| Compound ID |
CP0537895
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-benzyl-1-(2,6-difluoro-benzyl)-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33F2N5O2
|
||||||||||||||||||
| Molecular Weight |
545.634
|
||||||||||||||||||
| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccccc3)CCc2n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33F2N5O2/c1-35(16-13-24-10-5-6-15-34-24)18-19-37-30(39)26-21-36(20-23-8-3-2-4-9-23)17-14-29(26)38(31(37)40)22-25-27(32)11-7-12-28(25)33/h2-12,15H,13-14,16-22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMLQGDADHNUPJW-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