General Information of the Compound
| Compound ID |
CP0677609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N1-(3-Phenylbutanoyl)-N2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H22N6O
|
||||||||||||||||||
| Molecular Weight |
314.393
|
||||||||||||||||||
| Canonical SMILES |
CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H22N6O/c1-12(13-6-3-2-4-7-13)10-15(23)21-16(17)18-9-5-8-14-19-11-20-22-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,19,20,22)(H3,17,18,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYCGXPRAZPLFAM-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