General Information of the Compound
| Compound ID |
CP0430900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-N-(2-morpholin-4-yl-ethyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H31N5O2S
|
||||||||||||||||||
| Molecular Weight |
429.59
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(s\c1=N/C1CCCCC1)-c1ccc(cc1)C(=O)NCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N5O2S/c1-26-22(24-19-5-3-2-4-6-19)30-21(25-26)18-9-7-17(8-10-18)20(28)23-11-12-27-13-15-29-16-14-27/h7-10,19H,2-6,11-16H2,1H3,(H,23,28)/b24-22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSKQOVGZNYRGBI-GYHWCHFESA-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 | |||||||||||||||||||
| 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