General Information of the Compound
| Compound ID |
CP0492720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclohexyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N2O3
|
||||||||||||||||||
| Molecular Weight |
418.537
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)C#N)C(=O)OC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N2O3/c1-16-22(25(30)31-19-10-5-4-6-11-19)23(18-9-7-8-17(12-18)15-27)24-20(28-16)13-26(2,3)14-21(24)29/h7-9,12,19,23,28H,4-6,10-11,13-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUHMGVCDFXYYIE-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