General Information of the Compound
| Compound ID |
CP0451468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(10S,16R)-5-(benzenesulfonyl)-5,13-diazatetracyclo[7.7.0.02,6.010,16]hexadeca-1(9),2(6),3,7-tetraene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N2O2S
|
||||||||||||||||||
| Molecular Weight |
352.459
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c3[C@@H]4CCNCC[C@@H]4c3ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O2S/c23-25(24,14-4-2-1-3-5-14)22-13-10-18-19(22)7-6-16-15-8-11-21-12-9-17(15)20(16)18/h1-7,10,13,15,17,21H,8-9,11-12H2/t15-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOTBLGLYTBUSJK-NVXWUHKLSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor