General Information of the Compound
| Compound ID |
CP0343622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,9bS)-9-Bromo-3-cyclopropylmethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20BrN
|
||||||||||||||||||
| Molecular Weight |
306.247
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc2CC[C@@H]3[C@@H](CCN3CC3CC3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20BrN/c17-14-3-1-2-12-6-7-15-13(16(12)14)8-9-18(15)10-11-4-5-11/h1-3,11,13,15H,4-10H2/t13-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSTCPLNDACKSGT-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