General Information of the Compound
| Compound ID |
CP0429470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33ClN2O3
|
||||||||||||||||||
| Molecular Weight |
493.047
|
||||||||||||||||||
| Canonical SMILES |
CC(N1C(=O)C2CCCCC2C1=O)C(=O)N1c2ccccc2C(C)(CC1(C)C)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33ClN2O3/c1-18(31-26(34)21-9-5-6-10-22(21)27(31)35)25(33)32-24-12-8-7-11-23(24)29(4,17-28(32,2)3)19-13-15-20(30)16-14-19/h7-8,11-16,18,21-22H,5-6,9-10,17H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
APBYKXACVQBIKS-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