General Information of the Compound
| Compound ID |
CP0185134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,9bS)-3-But-3-enyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O
|
||||||||||||||||||
| Molecular Weight |
270.376
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCC=C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O/c1-2-3-10-19-11-9-13-15(19)8-7-12-5-4-6-14(16(12)13)17(18)20/h2,4-6,13,15H,1,3,7-11H2,(H2,18,20)/t13-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSBJKEDRSNWDGV-UKRRQHHQSA-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