General Information of the Compound
| Compound ID |
CP0419102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30FN3O5
|
||||||||||||||||||
| Molecular Weight |
519.573
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30FN3O5/c1-37-24-4-3-5-25(38-2)26(24)23-15-22(32-33(23)21-8-6-20(30)7-9-21)27(34)31-29(28(35)36)18-11-16-10-17(13-18)14-19(29)12-16/h3-9,15-19H,10-14H2,1-2H3,(H,31,34)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZOKORVTSZMSAL-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