General Information of the Compound
| Compound ID |
CP0470051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8598357, 69
Show/Hide
|
||||||||||||||||||
| Formula |
C21H32N2O4S
|
||||||||||||||||||
| Molecular Weight |
408.564
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N2O4S/c1-28(24,25)22-18-7-5-16(6-8-18)9-12-23-13-10-17(11-14-23)19-3-2-4-20-21(19)27-15-26-20/h2-4,16-18,22H,5-15H2,1H3/t16-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZZIOGFYAGNURW-SAABIXHNSA-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