General Information of the Compound
| Compound ID |
CP0496543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(((R)-1-(((S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl)methyl)piperidin-3-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H43ClF2N6O2
|
||||||||||||||||||
| Molecular Weight |
689.251
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@@H]2CCCN(C[C@@H]3CCCN3Cc3ccccn3)C2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H43ClF2N6O2/c39-29-13-11-27(12-14-29)20-44-19-15-36-33(25-44)37(48)47(38(49)46(36)26-32-34(40)9-3-10-35(32)41)22-28-6-4-17-43(21-28)24-31-8-5-18-45(31)23-30-7-1-2-16-42-30/h1-3,7,9-14,16,28,31H,4-6,8,15,17-26H2/t28-,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKXVKKADHVPLJR-MVSFAKPFSA-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