Bioactive Compound Details
| BioID | bio59489 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL230104 |
| Molecular Formula | C62H91N13O21 |
| Molecular Weight | 1354.48 |
| Molecular Weight (Monoisotopic) | 1353.6452 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar25 |
| Target Name | IBD12 |
| Synonyms | None |
| Smiles | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C |
| Inchi | InChI=1S/C62H91N13O21/c1-8-30(5)48(64)59(92)70-42(25-46(81)82)55(88)68-41(24-45(79)80)54(87)66-38(16-12-13-21-63)52(85)67-40(23-34-27-65-37-15-11-10-14-36(34)37)56(89)73-49(29(3)4)60(93)72-44(28-76)58(91)74-50(31(6)9-2)61(94)71-39(22-33-17-19-35(78)20-18-33)53(86)69-43(26-47(83)84)57(90)75-51(32(7)77)62(95)96/h10-11,14-15,17-20,27,29-32,38-44,48-51,65,76-78H,8-9,12-13,16,21-26,28,63-64H2,1-7H3,(H,66,87)(H,67,85)(H,68,88)(H,69,86)(H,70,92)(H,71,94)(H,72,93)(H,73,89)(H,74,91)(H,75,90)(H,79,80)(H,81,82)(H,83,84)(H,95,96)/t30-,31-,32+,38-,39-,40-,41-,42-,43-,44-,48-,49-,50-,51-/m0/s1 |
| Inchi Key | DYOZXANTVDZQFE-NSJMUPNGSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['IDD12'] |
| Records Name | ['I30-D-D-I-K-W35-V83-S-I-Y-D-T88'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
