General Information of the Compound
| Compound ID |
CP0526002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Benzyloxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N3O2
|
||||||||||||||||||
| Molecular Weight |
469.629
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N3O2/c1-34-27-12-10-26(11-13-27)33-19-17-32(18-20-33)16-6-5-9-25-22-31-30-15-14-28(21-29(25)30)35-23-24-7-3-2-4-8-24/h2-4,7-8,10-15,21-22,31H,5-6,9,16-20,23H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSSOSZCLQHFAJP-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