Bioactive Compound Details
| BioID | bio198097 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1089261 |
| Molecular Formula | C59H92N16O13 |
| Molecular Weight | 1233.48 |
| Molecular Weight (Monoisotopic) | 1232.703 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Anthracene Carboxylic Acid Colistin |
| Smiles | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)c2ccc3cc4ccccc4cc3c2)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O |
| Inchi | InChI=1S/C59H92N16O13/c1-30(2)25-45-56(85)69-39(13-19-60)50(79)68-43(17-23-64)55(84)74-47(32(5)76)58(87)65-24-18-44(53(82)67-40(14-20-61)52(81)72-46(26-31(3)4)57(86)73-45)70-51(80)41(15-21-62)71-59(88)48(33(6)77)75-54(83)42(16-22-63)66-49(78)37-12-11-36-27-34-9-7-8-10-35(34)28-38(36)29-37/h7-12,27-33,39-48,76-77H,13-26,60-64H2,1-6H3,(H,65,87)(H,66,78)(H,67,82)(H,68,79)(H,69,85)(H,70,80)(H,71,88)(H,72,81)(H,73,86)(H,74,84)(H,75,83)/t32-,33-,39+,40+,41+,42+,43+,44+,45+,46-,47+,48+/m1/s1 |
| Inchi Key | LFEQFUJYBBJUGC-YSOOVZLNSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | None |
| Records Key | ['70'] |
| Records Name | ['2-Anthracene Carboxylic acid Colistin'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
