General Information of the Compound
| Compound ID |
CP0555790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-cyano-2-[6-(cyclohexylmethoxysulfamoyl)hexyl]-3-pyridin-4-ylguanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32N6O3S
|
||||||||||||||||||
| Molecular Weight |
436.582
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)NOCC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N6O3S/c21-17-24-20(25-19-10-13-22-14-11-19)23-12-6-1-2-7-15-30(27,28)26-29-16-18-8-4-3-5-9-18/h10-11,13-14,18,26H,1-9,12,15-16H2,(H2,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWYUTYWDWTTWRM-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