General Information of the Compound
| Compound ID |
CP0475270
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4aS,8S,8aR)-4-[(4-fluorophenyl)methyl]-8-pyrrolidin-1-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-(3,4-dichlorophenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32Cl2FN3O
|
||||||||||||||||||
| Molecular Weight |
504.477
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CN2CCN([C@@H]3[C@H](CCC[C@H]23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32Cl2FN3O/c28-22-11-8-20(16-23(22)29)17-26(34)33-15-14-32(18-19-6-9-21(30)10-7-19)25-5-3-4-24(27(25)33)31-12-1-2-13-31/h6-11,16,24-25,27H,1-5,12-15,17-18H2/t24-,25-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNPXHBMZSULUKK-OHSXHVKISA-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