General Information of the Compound
Compound ID |
CP0178124
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C18H14ClF3N6O
|
||||||||||||||||||
Molecular Weight |
422.798
|
||||||||||||||||||
Canonical SMILES |
CC1N(CCn2c1nnc2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C18H14ClF3N6O/c1-10-15-25-26-16(13-9-23-5-6-24-13)28(15)8-7-27(10)17(29)11-3-2-4-12(14(11)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3
Show/Hide
|
||||||||||||||||||
InChIKey |
ZAJVOXZSUBHRRY-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