General Information of the Compound
| Compound ID |
CP0308079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-methoxy-[1,2,5]thiadiazol-3-yl)-piperazin-1-yl]-1-pyridin-3-ylmethyl-ethyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34N6O2S
|
||||||||||||||||||
| Molecular Weight |
458.632
|
||||||||||||||||||
| Canonical SMILES |
COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWKBPFACSXLZFM-LJQANCHMSA-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