General Information of the Compound
| Compound ID |
CP0941768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-(4-phenoxyphenyl)-1H-1,2,3-triazol-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26N4O3
|
||||||||||||||||||
| Molecular Weight |
466.541
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc(Oc3ccccc3)cc2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N4O3/c33-28(31-18-8-7-11-24(31)21-34-20-22-9-3-1-4-10-22)32-19-27(29-30-32)23-14-16-26(17-15-23)35-25-12-5-2-6-13-25/h1-7,9-17,19,24H,8,18,20-21H2/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUXWGUAPGUKTNH-XMMPIXPASA-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
Protein ID: PT04933, Diacylglycerol lipase-alpha
Protein ID: PT02720, Monoacylglycerol lipase ABHD6