General Information of the Compound
| Compound ID |
CP0315139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazol-3-yl]benzoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16FN3O2
|
||||||||||||||||||
| Molecular Weight |
385.398
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16FN3O2/c24-19-9-7-17(8-10-19)22-13-21(16-3-5-18(6-4-16)23(28)29)26-27(22)20-11-1-15(14-25)2-12-20/h1-12,22H,13H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
APLCVMGPRRUYPZ-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