General Information of the Compound
| Compound ID |
CP0404678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-2-methyl-quinazolin-4-ylamine
Show/Hide
|
||||||||||||||||||
| Formula |
C18H22N6S
|
||||||||||||||||||
| Molecular Weight |
354.483
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N)c2ccc(cc2n1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N6S/c1-11-20-15-10-12(8-9-14(15)16(19)21-11)17-23-24(2)18(25-17)22-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,19,20,21)/b22-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBFFFLYGIGCWNB-PYCFMQQDSA-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