General Information of the Compound
| Compound ID |
CP0237257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,9bS)-9-Bromo-3-(3-methyl-but-2-enyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22BrN
|
||||||||||||||||||
| Molecular Weight |
320.274
|
||||||||||||||||||
| Canonical SMILES |
CC(C)=CCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22BrN/c1-12(2)8-10-19-11-9-14-16(19)7-6-13-4-3-5-15(18)17(13)14/h3-5,8,14,16H,6-7,9-11H2,1-2H3/t14-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOMGCJQPMMXIQO-GDBMZVCRSA-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