General Information of the Compound
| Compound ID |
CP0081599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-(3,4-difluoro-7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F3N2O4S
|
||||||||||||||||||
| Molecular Weight |
452.454
|
||||||||||||||||||
| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F3N2O4S/c1-25(31(29,30)14-5-2-12(22)3-6-14)13-4-9-18-16(10-19(27)28)15-7-8-17(23)20(24)21(15)26(18)11-13/h2-3,5-8,13H,4,9-11H2,1H3,(H,27,28)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGUQHAZHYUGNIM-CYBMUJFWSA-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