General Information of the Compound
| Compound ID |
CP0207117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H38N10O
|
||||||||||||||||||
| Molecular Weight |
650.791
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H38N10O/c1-26(49)47-19-21-48(22-20-47)38-40-24-31-23-32(28-7-3-2-4-8-28)34(41-35(31)43-38)29-12-10-27(11-13-29)25-46-17-14-30(15-18-46)36-42-37(45-44-36)33-9-5-6-16-39-33/h2-13,16,23-24,30H,14-15,17-22,25H2,1H3,(H,42,44,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFWVAYGDSFKIJW-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