General Information of the Compound
| Compound ID |
CP0567700
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 1-[4-(4-benzhydrylpiperazin-1-yl)butyl]indole-7-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N3O2
|
||||||||||||||||||
| Molecular Weight |
481.64
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc2ccn(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N3O2/c1-36-31(35)28-16-10-15-27-17-20-33(30(27)28)19-9-8-18-32-21-23-34(24-22-32)29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-7,10-17,20,29H,8-9,18-19,21-24H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQFYFBAIPLMLAO-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 | |||||||||||||||||||
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