General Information of the Compound
| Compound ID |
CP0104673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid allylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26N2O
|
||||||||||||||||||
| Molecular Weight |
298.43
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)NCC=C)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26N2O/c1-3-11-20-19(22)16-7-5-6-14-8-9-17-15(18(14)16)10-13-21(17)12-4-2/h3,5-7,15,17H,1,4,8-13H2,2H3,(H,20,22)/t15-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFWXRKAZGSGLJZ-NVXWUHKLSA-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