General Information of the Compound
| Compound ID |
CP0425009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(dimethylamino)phenyl]-1-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39N3O3
|
||||||||||||||||||
| Molecular Weight |
501.671
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N3O3/c1-24-8-4-6-10-29(24)34-20-18-33(19-21-34)22-27(35)23-37-31-11-7-5-9-28(31)30(36)17-14-25-12-15-26(16-13-25)32(2)3/h4-13,15-16,27,35H,14,17-23H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYTSKFZAPDDTCP-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