General Information of the Compound
| Compound ID |
CP0503544
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1644610
Show/Hide
|
||||||||||||||||||
| Formula |
C20H18N4O
|
||||||||||||||||||
| Molecular Weight |
330.391
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O/c21-11-13-7-19(18-4-2-1-3-14(18)12-22)24-20(8-13)25-17-9-15-5-6-16(10-17)23-15/h1-4,7-8,15-17,23H,5-6,9-10H2/t15-,16+,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOSPLNXOHCYGSB-BJWYYQGGSA-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