General Information of the Compound
| Compound ID |
CP0909410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(dimethylamino)phenyl)-1-(pyridin-4-yl)-3-p-tolylpropan-1-one oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O
|
||||||||||||||||||
| Molecular Weight |
359.473
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(C/C(=N\O)c2ccncc2)c2ccc(N(C)C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O/c1-17-4-6-18(7-5-17)22(19-8-10-21(11-9-19)26(2)3)16-23(25-27)20-12-14-24-15-13-20/h4-15,22,27H,16H2,1-3H3/b25-23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHMBXAPAZTZTON-WJTDDFOZSA-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
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1