General Information of the Compound
| Compound ID |
CP0485033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C16H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
317.414
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(s\c1=N/C1CCCCC1)-c1cccc(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N3O2S/c1-19-16(17-13-8-3-2-4-9-13)22-14(18-19)11-6-5-7-12(10-11)15(20)21/h5-7,10,13H,2-4,8-9H2,1H3,(H,20,21)/b17-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBFDHLUQTUXBAH-MSUUIHNZSA-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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A