General Information of the Compound
| Compound ID |
CP0221894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{[(1H-Indol-2-yl)-methyl-amino]-methyl}-3-methyl-2-(piperidine-1-carbonyl)-2H-isoxazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O3
|
||||||||||||||||||
| Molecular Weight |
368.437
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1c(C)n(oc1=O)C(=O)N1CCCCC1)c1cc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O3/c1-14-16(13-22(2)18-12-15-8-4-5-9-17(15)21-18)19(25)27-24(14)20(26)23-10-6-3-7-11-23/h4-5,8-9,12,21H,3,6-7,10-11,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXIUBZDUPGNQBW-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