General Information of the Compound
| Compound ID |
CP0517168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(oxan-4-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O4S2
|
||||||||||||||||||
| Molecular Weight |
529.728
|
||||||||||||||||||
| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCOCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O4S2/c1-3-4-15-28-18-21-5-7-22(8-6-21)27-29-23(20-35-27)19-30(24-13-16-34-17-14-24)36(31,32)26-11-9-25(33-2)10-12-26/h5-12,20,24,28H,3-4,13-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOGWFVJXSCTYFV-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