General Information of the Compound
| Compound ID |
CP0382575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S)-14-butyl-5-methoxy-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25NO2S
|
||||||||||||||||||
| Molecular Weight |
343.492
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1cc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJSAZDFVYLKJQV-KRWDZBQOSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor