General Information of the Compound
| Compound ID |
CP0402838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methyl-1,3-thiazole-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N3O3S2
|
||||||||||||||||||
| Molecular Weight |
475.68
|
||||||||||||||||||
| Canonical SMILES |
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2nccs2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N3O3S2/c1-6-27(15-9-7-8-13-24(2,3)4)20-21-11-10-12-22(19-21)30-17-16-26(5)32(28,29)23-25-14-18-31-23/h7,9-12,14,18-19H,6,15-17,20H2,1-5H3/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWPKYRCUPQXEHS-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