General Information of the Compound
| Compound ID |
CP0859202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9085531, 130
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3
|
||||||||||||||||||
| Molecular Weight |
277.371
|
||||||||||||||||||
| Canonical SMILES |
CCN1Cc2ccccc2C(c2ccc3cn[nH]c3c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3/c1-2-21-11-15-5-3-4-6-16(15)17(12-21)13-7-8-14-10-19-20-18(14)9-13/h3-10,17H,2,11-12H2,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUZFJRJMEROGCY-UHFFFAOYSA-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