General Information of the Compound
| Compound ID |
CP0379916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
BDBM50054527
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2S
|
||||||||||||||||||
| Molecular Weight |
362.542
|
||||||||||||||||||
| Canonical SMILES |
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2S/c1-24-15-18-13-19(25-11-5-2-6-12-25)9-10-20(18)21(16-24)23-14-17-7-3-4-8-22(17)26-23/h3-4,7-10,13-14,21H,2,5-6,11-12,15-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULLMROULDBOCOZ-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