General Information of the Compound
| Compound ID |
CP0572671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[2-[5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
575.731
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-c2nccs2)n1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30FN3O3S2/c1-31(2,22-7-14-26(36-3)27(19-22)37-4)28-20-34-30(35(28)24-10-8-23(32)9-11-24)40-18-16-38-25-12-5-21(6-13-25)29-33-15-17-39-29/h5-15,17,19-20H,16,18H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOKRWFCHXTZJJM-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