General Information of the Compound
| Compound ID |
CP0912191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2,4-difluorophenyl)-2-(2-(3-methylcyclohexylidene)hydrazinyl)thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17F2N3S
|
||||||||||||||||||
| Molecular Weight |
321.396
|
||||||||||||||||||
| Canonical SMILES |
CC1CCC/C(=N/Nc2nc(-c3ccc(F)cc3F)cs2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17F2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)/b20-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOGKJRCNUNAYLU-NDENLUEZSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B