General Information of the Compound
| Compound ID |
CP0951849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-Cyclobutoxy-3-methyl-benzoylamino)-5-fluoro-indan-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22FNO4
|
||||||||||||||||||
| Molecular Weight |
383.419
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1OC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22FNO4/c1-13-4-2-7-18(19(13)28-17-5-3-6-17)20(25)24-22(21(26)27)11-14-8-9-16(23)10-15(14)12-22/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDBLFEOUDLTXIW-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