General Information of the Compound
| Compound ID |
CP0416074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N5O3
|
||||||||||||||||||
| Molecular Weight |
351.366
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N(Cc1ccc2OCOc2c1)c1cccc(c1)-c1nnn[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N5O3/c1-2-17(24)23(10-12-6-7-15-16(8-12)26-11-25-15)14-5-3-4-13(9-14)18-19-21-22-20-18/h3-9H,2,10-11H2,1H3,(H,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GORHUZRBGXPWAD-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