General Information of the Compound
| Compound ID |
CP0968245
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,6-Difluoro-2-(3-methyl-2-propyl-benzoylamino)-indan-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F2NO3
|
||||||||||||||||||
| Molecular Weight |
373.399
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2cc(F)c(F)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F2NO3/c1-3-5-15-12(2)6-4-7-16(15)19(25)24-21(20(26)27)10-13-8-17(22)18(23)9-14(13)11-21/h4,6-9H,3,5,10-11H2,1-2H3,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCLWVZVGWADYDV-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