General Information of the Compound
| Compound ID |
CP0537059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(diethylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C17H25N5O
|
||||||||||||||||||
| Molecular Weight |
315.421
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCCNC(=O)c1cn(nn1)-c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H25N5O/c1-4-21(5-2)12-6-11-18-17(23)16-13-22(20-19-16)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGQVFKLLPWTZHM-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 | |||||||||||||||||||
| 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