General Information of the Compound
| Compound ID |
CP0236380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-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]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H34N12
|
||||||||||||||||||
| Molecular Weight |
646.763
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2nc(ncc2cc1-c1ccccc1)N1CCn2cnnc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H34N12/c1-2-6-26(7-3-1)30-20-29-21-39-37(48-18-19-49-24-40-44-32(49)23-48)43-34(29)41-33(30)27-11-9-25(10-12-27)22-47-16-13-28(14-17-47)35-42-36(46-45-35)31-8-4-5-15-38-31/h1-12,15,20-21,24,28H,13-14,16-19,22-23H2,(H,42,45,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLGHRVKBVKFOQI-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