General Information of the Compound
| Compound ID |
CP0411745
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(10R,15S)-7-bromo-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27BrFN3O
|
||||||||||||||||||
| Molecular Weight |
472.402
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c3cc(Br)cc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27BrFN3O/c1-27-11-12-29-21-8-10-28(9-2-3-23(30)16-4-6-18(26)7-5-16)15-20(21)19-13-17(25)14-22(27)24(19)29/h4-7,13-14,20-21H,2-3,8-12,15H2,1H3/t20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZESQNJZGANZOAY-SFTDATJTSA-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: PT00939, 5-hydroxytryptamine receptor 2C