General Information of the Compound
| Compound ID |
CP0392517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-N-(2-dimethylamino-ethyl)-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H31N5OS
|
||||||||||||||||||
| Molecular Weight |
401.58
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCN(C)C(=O)c1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H31N5OS/c1-24(2)14-15-25(3)20(27)17-12-10-16(11-13-17)19-23-26(4)21(28-19)22-18-8-6-5-7-9-18/h10-13,18H,5-9,14-15H2,1-4H3/b22-21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBMUEOFVKJCUBT-DQRAZIAOSA-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