General Information of the Compound
| Compound ID |
CP0852433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N2O3
|
||||||||||||||||||
| Molecular Weight |
382.504
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N2O3/c1-3-23(27)19-8-10-21(11-9-19)28-17-20(26)16-24-12-14-25(15-13-24)22-7-5-4-6-18(22)2/h4-11,20,26H,3,12-17H2,1-2H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTQHKMRQFHDNHS-HXUWFJFHSA-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