General Information of the Compound
| Compound ID |
CP0496521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(S)-4-(6-Fluoro-1H-indol-3-yl)-2-methyl-piperidin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
435.543
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FN3O2/c1-16-12-17(23-15-29-24-14-20(27)3-5-22(23)24)6-9-30(16)10-7-25-21-4-2-19(26(28)31)13-18(21)8-11-32-25/h2-5,13-17,25,29H,6-12H2,1H3,(H2,28,31)/t16-,17?,25?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEJSMIRALRRUAZ-YSIXZZNSSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D