General Information of the Compound
| Compound ID |
CP0517348
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]-1,3-oxazol-2-yl]propane-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27Cl2N3O5S
|
||||||||||||||||||
| Molecular Weight |
552.48
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)Nc1nc(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)co1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27Cl2N3O5S/c1-16(2)36(31,32)30-24-29-20(15-35-24)14-34-21-7-5-18(6-8-21)25(3,4)19-11-17(13-28)23(22(27)12-19)33-10-9-26/h5-8,11-12,15-16H,9-10,14H2,1-4H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEVHPDDHMDEWSN-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