Bioactive Compound Details
| BioID | bio198263 |
|---|---|
| Name | LYNGBYASTATIN 2 |
| ChEMBL ID | CHEMBL507890 |
| Molecular Formula | C56H94N6O13 |
| Molecular Weight | 1059.4 |
| Molecular Weight (Monoisotopic) | 1058.6879 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Lyngbyastatin 2 |
| Smiles | CC[C@@H]1CCC[C@@H](O)[C@@H](C)C(=O)O[C@H](C)[C@@H](C)C/C=C(C)/C(OC)=C\C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](COC)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)O1 |
| Inchi | InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3/b37-28+,45-31+/t35-,36-,38+,39+,40+,41-,42-,43-,44+,47-,48-,49-/m0/s1 |
| Inchi Key | VXNKUFHPWIHJDR-CCOKTPOLSA-N |
| Molecular Species | None |
| Targets | 6.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | None |
| Records Key | ['1'] |
| Records Name | ['Lyngbyastatin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
