| BioID | bio198191 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL447860 |
|---|
| Molecular Formula | C29H28N4O9 |
|---|
| Molecular Weight | 576.56 |
|---|
| Molecular Weight (Monoisotopic) | 576.1856 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 7-(1-methyl-2-oxopropyl)streptonigrin |
|---|
| Smiles | COC1=C(NC(C)C(C)=O)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O |
|---|
| Inchi | InChI=1S/C29H28N4O9/c1-11-18(14-8-10-17(40-4)27(41-5)24(14)35)19(30)22(33-20(11)29(38)39)16-9-7-15-21(32-16)26(37)23(28(42-6)25(15)36)31-12(2)13(3)34/h7-10,12,31,35H,30H2,1-6H3,(H,38,39) |
|---|
| Inchi Key | HYCLTZFHBHQLSE-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 0.95 |
|---|
| Records Key | ['2, 7-(1-methyl-2-oxopropyl)streptonigrin'] |
|---|
| Records Name | ['5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-[6-methoxy-7-(1-methyl-2-oxopropylamino)-5,8-dioxo-5,8-dihydroquinolin-2-yl]-3-methylpyridine-2-carboxylic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
