General Information of the Compound
| Compound ID |
CP0480445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-fluorophenyl)-4-[(10R,15S)-7-methoxy-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
423.532
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2[C@@H]3CN(CCCC(=O)c4ccc(F)cc4)CC[C@@H]3N3CCN(C)c(c1)c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30FN3O2/c1-27-12-13-29-22-9-11-28(10-3-4-24(30)17-5-7-18(26)8-6-17)16-21(22)20-14-19(31-2)15-23(27)25(20)29/h5-8,14-15,21-22H,3-4,9-13,16H2,1-2H3/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODXIOKASJQTTEX-VXKWHMMOSA-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
Protein ID: PT00957, D(2) dopamine receptor