General Information of the Compound
| Compound ID |
CP0309356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[3-(4-methylphenyl)adamantane-1-carbonyl]piperazin-1-yl]-phenylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N2O2
|
||||||||||||||||||
| Molecular Weight |
442.603
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N2O2/c1-21-7-9-25(10-8-21)28-16-22-15-23(17-28)19-29(18-22,20-28)27(33)31-13-11-30(12-14-31)26(32)24-5-3-2-4-6-24/h2-10,22-23H,11-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHHJYIWTSWJHKP-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