General Information of the Compound
| Compound ID |
CP0373577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-difluorobenzyl)-6-(3-chlorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32ClF2N5O2
|
||||||||||||||||||
| Molecular Weight |
580.079
|
||||||||||||||||||
| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3cccc(Cl)c3)CCc2n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32ClF2N5O2/c1-36(14-11-24-8-2-3-13-35-24)16-17-38-30(40)26-20-37(19-22-6-4-7-23(32)18-22)15-12-29(26)39(31(38)41)21-25-27(33)9-5-10-28(25)34/h2-10,13,18H,11-12,14-17,19-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYSIDPWCVRGUGA-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