General Information of the Compound
| Compound ID |
CP0949378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-dichlorophenyl)-1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
527.492
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C(=O)CCc2ccc(Cl)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32Cl2N2O3/c1-21-6-2-4-8-27(21)33-16-14-32(15-17-33)19-23(34)20-36-29-9-5-3-7-24(29)28(35)13-11-22-10-12-25(30)26(31)18-22/h2-10,12,18,23,34H,11,13-17,19-20H2,1H3/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOBUBSDXJVENDS-HSZRJFAPSA-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