General Information of the Compound
| Compound ID |
CP0277590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazol-3-yl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamideTrifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28FN5O
|
||||||||||||||||||
| Molecular Weight |
469.564
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCN(C)C(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28FN5O/c1-32(2)16-17-33(3)28(35)23-8-6-21(7-9-23)26-18-27(22-10-12-24(29)13-11-22)34(31-26)25-14-4-20(19-30)5-15-25/h4-15,27H,16-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKUKEMRCCWWBFD-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