General Information of the Compound
| Compound ID |
CP0394637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-fluoro-3-[2-(5-fluoro-1H-indol-3-yl)ethyl-propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F2N3O2
|
||||||||||||||||||
| Molecular Weight |
413.468
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTWODMYAWGDPAE-UHFFFAOYSA-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: PT00871, Sodium-dependent serotonin transporter