General Information of the Compound
| Compound ID |
CP0444663
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3S)-3-(4-chlorophenoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClNO
|
||||||||||||||||||
| Molecular Weight |
273.763
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClNO/c1-18-15-10-16(14-5-3-2-4-13(14)15)19-12-8-6-11(17)7-9-12/h2-9,15-16,18H,10H2,1H3/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPUKKBZBVUXCSQ-CVEARBPZSA-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