General Information of the Compound
| Compound ID |
CP0501099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-2-[2-[3-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-indol-4-yl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N5O
|
||||||||||||||||||
| Molecular Weight |
361.449
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccccn2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N5O/c1-26(2)13-11-15-6-5-8-18-17(15)14-19(23-18)21-24-20(25-27-21)10-9-16-7-3-4-12-22-16/h3-8,12,14,23H,9-11,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NATDSJPVLINEQG-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