General Information of the Compound
| Compound ID |
CP0560829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[7-(4-phenylbutylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29NO
|
||||||||||||||||||
| Molecular Weight |
323.48
|
||||||||||||||||||
| Canonical SMILES |
OCc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29NO/c24-17-19-9-10-20-11-13-22(14-12-21(20)16-19)23-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-24H,4-5,8,11-15,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBIAJANCYGYOLK-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