General Information of the Compound
| Compound ID |
CP0529680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(diethylaminomethyl)-1-octylindol-5-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38N2O
|
||||||||||||||||||
| Molecular Weight |
406.614
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cccc(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N2O/c1-4-7-8-9-10-11-17-29-21-24(20-28(5-2)6-3)26-19-23(15-16-27(26)29)22-13-12-14-25(30)18-22/h12-16,18-19,21,30H,4-11,17,20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCMUIWTYVPXEBS-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