General Information of the Compound
| Compound ID |
CP0956175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(2-chloro-4-fluorophenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
360.776
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14ClFN4O2/c1-10(12-7-6-11(19)8-14(12)18)20-16(24)9-23-17(25)13-4-2-3-5-15(13)21-22-23/h2-8,10H,9H2,1H3,(H,20,24)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDUVHDCHYOJUAN-JTQLQIEISA-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