General Information of the Compound
| Compound ID |
CP0403209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-octylbenzotriazol-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H22N4
|
||||||||||||||||||
| Molecular Weight |
246.358
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCNn1nnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H22N4/c1-2-3-4-5-6-9-12-15-18-14-11-8-7-10-13(14)16-17-18/h7-8,10-11,15H,2-6,9,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVHHRZCSNYWWFV-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