General Information of the Compound
| Compound ID |
CP0522286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl-cyclopentylsulfamoyl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N4O3S2
|
||||||||||||||||||
| Molecular Weight |
540.755
|
||||||||||||||||||
| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2cccc(NC(C)=O)c2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N4O3S2/c1-3-4-16-29-18-22-12-14-23(15-13-22)28-31-25(20-36-28)19-32(26-9-5-6-10-26)37(34,35)27-11-7-8-24(17-27)30-21(2)33/h7-8,11-15,17,20,26,29H,3-6,9-10,16,18-19H2,1-2H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRVRQJGUHSOXES-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