General Information of the Compound
| Compound ID |
CP0917613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-4-(Biphenyl-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25NO3
|
||||||||||||||||||
| Molecular Weight |
387.479
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(=O)O)C(c2ccc(-c3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25NO3/c1-15-21(24(28)29)22(23-19(26-15)13-25(2,3)14-20(23)27)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,22,26H,13-14H2,1-3H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDWGQNDXBJQGLJ-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