General Information of the Compound
| Compound ID |
CP0474463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((1-cyclopentylpiperidin-3-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H42F2N4O2
|
||||||||||||||||||
| Molecular Weight |
576.732
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCN(C2)C2CCCC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H42F2N4O2/c1-23-12-13-26(24(2)17-23)20-37-16-14-32-29(21-37)33(41)40(19-25-7-6-15-38(18-25)27-8-3-4-9-27)34(42)39(32)22-28-30(35)10-5-11-31(28)36/h5,10-13,17,25,27H,3-4,6-9,14-16,18-22H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZSDKYVGCXLJBU-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