General Information of the Compound
| Compound ID |
CP0429658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8586579, 19
Show/Hide
|
||||||||||||||||||
| Formula |
C23H34N4O2S
|
||||||||||||||||||
| Molecular Weight |
430.618
|
||||||||||||||||||
| Canonical SMILES |
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28)/t18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXCHOWMQGZACON-WGSAOQKQSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor