General Information of the Compound
| Compound ID |
CP0400688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
398.294
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N(CCN1CCOCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21Cl2N5O2/c1-13(25)24(5-4-22-6-8-26-9-7-22)17-12-23(21-20-17)11-14-2-3-15(18)16(19)10-14/h2-3,10,12H,4-9,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKKFDQQGRQVELU-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