General Information of the Compound
| Compound ID |
CP0096207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-1-(2-methoxyphenoxy)-2-((methylamino)methyl)-2,3-dihydro-1H-inden-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21NO3
|
||||||||||||||||||
| Molecular Weight |
299.37
|
||||||||||||||||||
| Canonical SMILES |
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21NO3/c1-19-12-18(20)11-13-7-3-4-8-14(13)17(18)22-16-10-6-5-9-15(16)21-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKJSLGBMXQASRH-ZWKOTPCHSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter