General Information of the Compound
| Compound ID |
CP0197728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25N3O4
|
||||||||||||||||||
| Molecular Weight |
479.536
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(Cc2nn(cc2C(O)=O)-c2ccccc2)cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25N3O4/c1-20-26(30-28(36-20)22-8-4-2-5-9-22)16-17-35-24-14-12-21(13-15-24)18-27-25(29(33)34)19-32(31-27)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQQAQIJJXTVYGQ-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