General Information of the Compound
| Compound ID |
CP0553203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[5-[[(6-methylpyridazin-3-yl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N9OS
|
||||||||||||||||||
| Molecular Weight |
495.657
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N9OS/c1-16-5-3-4-6-20(16)27-22(34)18-10-13-32(14-11-18)23-30-31-24(35-23)33-19(9-12-26-33)15-25-21-8-7-17(2)28-29-21/h7-9,12,16,18,20H,3-6,10-11,13-15H2,1-2H3,(H,25,29)(H,27,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZIQHGCHCGQYCE-UHFFFAOYSA-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