General Information of the Compound
| Compound ID |
CP0897713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(nitroxy)-2-[[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulphonylphenyl)-1H-pyrrol-3-yl]acetamido]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FN3O8S
|
||||||||||||||||||
| Molecular Weight |
519.507
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CC(=O)N[C@@H](CO[N+](=O)[O-])C(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FN3O8S/c1-14-16(12-22(28)25-20(23(29)30)13-35-27(31)32)11-21(26(14)18-7-5-17(24)6-8-18)15-3-9-19(10-4-15)36(2,33)34/h3-11,20H,12-13H2,1-2H3,(H,25,28)(H,29,30)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCKVZEJMHYLIEV-FQEVSTJZSA-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