General Information of the Compound
| Compound ID |
CP0942734
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-phenylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N2O3
|
||||||||||||||||||
| Molecular Weight |
430.548
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N2O3/c1-21-7-5-6-10-26(21)29-17-15-28(16-18-29)19-24(30)20-32-25-13-11-23(12-14-25)27(31)22-8-3-2-4-9-22/h2-14,24,30H,15-20H2,1H3/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVWWYUZPHVDEHS-XMMPIXPASA-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