General Information of the Compound
| Compound ID |
CP0416714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[2-[[(5-methylpyridin-2-yl)amino]methyl]phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N6OS
|
||||||||||||||||||
| Molecular Weight |
504.704
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1ccccc1CNc1ccc(C)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N6OS/c1-19-11-12-25(29-17-19)30-18-22-8-4-5-9-23(22)27-32-33-28(36-27)34-15-13-21(14-16-34)26(35)31-24-10-6-3-7-20(24)2/h4-5,8-9,11-12,17,20-21,24H,3,6-7,10,13-16,18H2,1-2H3,(H,29,30)(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTGMYDWJXIQBTM-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