General Information of the Compound
| Compound ID |
CP0485338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-benzyl-1-(2,6-difluoro-benzyl)-3-(3-methoxy-phenyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F2N3O3
|
||||||||||||||||||
| Molecular Weight |
489.522
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccccc3)Cc2n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F2N3O3/c1-36-21-10-5-9-20(15-21)33-27(34)22-13-14-31(16-19-7-3-2-4-8-19)18-26(22)32(28(33)35)17-23-24(29)11-6-12-25(23)30/h2-12,15H,13-14,16-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYKPIIHJWKLHAU-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