General Information of the Compound
| Compound ID |
CP0526675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4,6-Dichloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26Cl3N3O2
|
||||||||||||||||||
| Molecular Weight |
542.894
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26Cl3N3O2/c1-36-25-5-3-2-4-24(25)33-12-14-34(15-13-33)26(35)11-10-21-27-22(31)16-20(30)17-23(27)32-28(21)18-6-8-19(29)9-7-18/h2-9,16-17,32H,10-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZYZDPKNNQJZQG-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