General Information of the Compound
| Compound ID |
CP0482140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N3O3
|
||||||||||||||||||
| Molecular Weight |
483.612
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cc(ccc2N2CCC[C@@H]3CCCC[C@H]23)-c2ccccc2C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N3O3/c1-20-12-15-23(16-13-20)31-30(36)32-26-19-22(24-9-3-4-10-25(24)29(34)35)14-17-28(26)33-18-6-8-21-7-2-5-11-27(21)33/h3-4,9-10,12-17,19,21,27H,2,5-8,11,18H2,1H3,(H,34,35)(H2,31,32,36)/t21-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNILIIWOIISWGJ-IDISGSTGSA-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