General Information of the Compound
| Compound ID |
CP0503070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]propyl]-N-methylthiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36N2O3S2
|
||||||||||||||||||
| Molecular Weight |
488.719
|
||||||||||||||||||
| Canonical SMILES |
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCCN(C)S(=O)(=O)c2cccs2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36N2O3S2/c1-6-28(18-9-7-8-16-26(2,3)4)22-23-13-10-14-24(21-23)31-19-12-17-27(5)33(29,30)25-15-11-20-32-25/h7,9-11,13-15,20-21H,6,12,17-19,22H2,1-5H3/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWBPWANMBGXAOK-VQHVLOKHSA-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