General Information of the Compound
| Compound ID |
CP0408929
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4S,5R)-9-(benzenesulfonyl)-4-(dimethylamino)-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraen-5-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
370.474
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@H]1[C@H](CCO)c2cc3n(ccc3cc12)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O3S/c1-21(2)20-16(9-11-23)17-13-19-14(12-18(17)20)8-10-22(19)26(24,25)15-6-4-3-5-7-15/h3-8,10,12-13,16,20,23H,9,11H2,1-2H3/t16-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCKYRBSJWIYEBM-UZLBHIALSA-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00943, D(3) dopamine receptor