Bioactive Compound Details
| BioID | bio3454 |
|---|---|
| Name | FALDAPREVIR SODIUM |
| ChEMBL ID | CHEMBL3544915 |
| Molecular Formula | C40H48BrN6NaO9S |
| Molecular Weight | 891.82 |
| Molecular Weight (Monoisotopic) | 868.2465 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | BI 201335 NA|BI-201335 NA|BI-201335-NA|BI-201335NA|FALDAPREVIR SODIUM|FALDAPREVIR, SODIUM SALT |
| Smiles | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)[O-].[Na+] |
| Inchi | InChI=1S/C40H49BrN6O9S.Na/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41;/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48);/q;+1/p-1/t21-,23-,27+,32-,40-;/m1./s1 |
| Inchi Key | JYIOGGWFNHGWMN-CWNXUBRBSA-M |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.1 |
| Records Key | ['FALDAPREVIR SODIUM'] |
| Records Name | ['FALDAPREVIR SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
