General Information of the Compound
| Compound ID |
CP0476421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29FN4O3
|
||||||||||||||||||
| Molecular Weight |
488.563
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29FN4O3/c1-36-19-3-5-26-21(13-19)23(15-30-26)17-6-8-32(9-7-17)10-11-33-27(34)14-22(28(33)35)24-16-31-25-4-2-18(29)12-20(24)25/h2-5,12-13,15-17,22,30-31H,6-11,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAJRCGYWMBTWLT-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