General Information of the Compound
| Compound ID |
CP0072370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S)-N-(1,3-benzodioxol-5-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21NO2
|
||||||||||||||||||
| Molecular Weight |
295.382
|
||||||||||||||||||
| Canonical SMILES |
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21NO2/c1-2-13-14(22-7-21-13)3-8(1)6-20-19-16-10-5-11-15-9(10)4-12(16)17(15)18(11)19/h1-3,9-12,15-20H,4-7H2/t9?,10?,11?,12?,15?,16?,17?,18?,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGYQUDBPYFLBLJ-PTCVETCVSA-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter