General Information of the Compound
| Compound ID |
CP0658706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(rel)-4-((4aS,5S,10bS)-8,9-dimethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NO3
|
||||||||||||||||||
| Molecular Weight |
337.419
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(cc1C)[C@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NO3/c1-12-10-17-18(11-13(12)2)22-19(16-4-3-9-25-20(16)17)14-5-7-15(8-6-14)21(23)24/h5-8,10-11,16,19-20,22H,3-4,9H2,1-2H3,(H,23,24)/t16-,19+,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYQFDRSFNXFVOX-DBVUQKKJSA-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