General Information of the Compound
| Compound ID |
CP0394258
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl)-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClN4O
|
||||||||||||||||||
| Molecular Weight |
394.906
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCc1ccc2[nH]c(cc2c1)-c1nc(CCc2ccc(Cl)cc2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN4O/c1-27(2)12-11-16-5-9-19-17(13-16)14-20(24-19)22-25-21(26-28-22)10-6-15-3-7-18(23)8-4-15/h3-5,7-9,13-14,24H,6,10-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLIYWZXBOVGBNA-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