Bioactive Compound Details
| BioID | bio198720 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2063476 |
| Molecular Formula | C42H59N3O9 |
| Molecular Weight | 749.95 |
| Molecular Weight (Monoisotopic) | 749.4251 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Deoxycethromycin |
| Smiles | CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2C[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C |
| Inchi | InChI=1S/C42H59N3O9/c1-11-33-42(8)37(44-40(49)54-42)26(4)35(46)24(2)22-41(7,50-18-14-15-29-20-30-16-12-13-17-32(30)43-23-29)38(27(5)36(47)28(6)39(48)52-33)53-34-21-31(45(9)10)19-25(3)51-34/h12-17,20,23-28,31,33-34,37-38H,11,18-19,21-22H2,1-10H3,(H,44,49)/b15-14+/t24-,25-,26+,27+,28-,31+,33-,34+,37-,38-,41-,42-/m1/s1 |
| Inchi Key | HUENWTLOXJUFDB-RKBGGDOWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.9 |
| Records Key | ['7e'] |
| Records Name | [2'-deoxycethromycin"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
