General Information of the Compound
| Compound ID |
CP0373893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL477587
Show/Hide
|
||||||||||||||||||
| Formula |
C27H30FN3O
|
||||||||||||||||||
| Molecular Weight |
431.555
|
||||||||||||||||||
| Canonical SMILES |
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIJZGDHTGREJNF-JKIUYZKVSA-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 | |||||||||||||||||||
| 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