General Information of the Compound
| Compound ID |
CP0494707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[2-[(2,4-dichlorophenoxy)-phenylmethyl]-1-benzothiophen-3-yl]ethyl]-N,N-dimethylpiperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32Cl2N2OS
|
||||||||||||||||||
| Molecular Weight |
539.572
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C1CCN(CCc2c(sc3ccccc23)C(Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32Cl2N2OS/c1-33(2)23-14-17-34(18-15-23)19-16-25-24-10-6-7-11-28(24)36-30(25)29(21-8-4-3-5-9-21)35-27-13-12-22(31)20-26(27)32/h3-13,20,23,29H,14-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYBVZJCDJJMVCO-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