General Information of the Compound
| Compound ID |
CP0476205
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(3-methylphenyl)piperidin-1-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N2O2
|
||||||||||||||||||
| Molecular Weight |
432.608
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1cccc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N2O2/c1-21-5-3-6-25(19-21)24-10-15-29(16-11-24)14-4-7-28(32)27-9-8-23-12-17-30(22(2)31)18-13-26(23)20-27/h3,5-6,8-9,19-20,24H,4,7,10-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUVBZWZGJVYTGN-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