| BioID | bio197776 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL538440 |
|---|
| Molecular Formula | C41H52F4N2O15 |
|---|
| Molecular Weight | 888.86 |
|---|
| Molecular Weight (Monoisotopic) | 888.3304 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | SB-T-12823-2 |
|---|
| Smiles | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)N(C)C)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C[C@@](O)([C@@H](OC(=O)c4cccc(F)c4)[C@H]21)C3(C)C |
|---|
| Inchi | InChI=1S/C41H52F4N2O15/c1-18-22(58-33(53)26(50)29(41(43,44)45)46-34(54)62-36(3,4)5)16-40(56)31(60-32(52)20-12-11-13-21(42)14-20)28-38(8,23(49)15-24-39(28,17-57-24)61-19(2)48)30(51)27(25(18)37(40,6)7)59-35(55)47(9)10/h11-14,22-24,26-29,31,49-50,56H,15-17H2,1-10H3,(H,46,54)/t22-,23-,24+,26+,27+,28-,29+,31-,38+,39-,40+/m0/s1 |
|---|
| Inchi Key | OOOJPSFBMKYNLF-BRKAOKFASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | 1.49 |
|---|
| Records Key | ['SB-T-12823-2', '23 Table4'] |
|---|
| Records Name | ['SB-T-12823-2', '(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3R)-3-{[(tert-butoxy)carbonyl]amino}-4,4,4-trifluoro-2-hydroxybutanoyl]oxy}-12-[(dimethylcarbamoyl)oxy]-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl 3-fluorobenzoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
