General Information of the Compound
| Compound ID |
CP0579936
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-(3-methylphenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C18H18N4O2
|
||||||||||||||||||
| Molecular Weight |
322.368
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N4O2/c1-12-6-5-7-14(10-12)13(2)19-17(23)11-22-18(24)15-8-3-4-9-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJHVMDYVNLXEPA-ZDUSSCGKSA-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