General Information of the Compound
| Compound ID |
CP0568300
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]-5,6-dimethylpyrimidin-2-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28Cl2N4O4S
|
||||||||||||||||||
| Molecular Weight |
563.507
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(NS(C)(=O)=O)nc(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28Cl2N4O4S/c1-16-17(2)30-25(32-37(5,33)34)31-23(16)15-36-21-8-6-19(7-9-21)26(3,4)20-12-18(14-29)24(22(28)13-20)35-11-10-27/h6-9,12-13H,10-11,15H2,1-5H3,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTUIDHINDYFYIR-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