Bioactive Compound Details
| BioID | bio3500 |
|---|---|
| Name | DELDEPREVIR SODIUM |
| ChEMBL ID | CHEMBL3039499 |
| Molecular Formula | C45H55F2N6NaO8S2 |
| Molecular Weight | 933.09 |
| Molecular Weight (Monoisotopic) | 910.3569 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | ACH-0142684.Na|ACH-2684.Na|DELDEPREVIR SODIUM|NECEPREVIR SODIUM |
| Smiles | COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)N5CCCC(F)(F)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+] |
| Inchi | InChI=1S/C45H56F2N6O8S2.Na/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52;/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H2,50,51,55,57);/q;+1/p-1/b12-9-;/t28-,29-,30-,35+,45-;/m1./s1 |
| Inchi Key | KLBYIWFUEHNOSA-ACPQSSBHSA-M |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.2 |
| Records Key | ['DELDEPREVIR SODIUM'] |
| Records Name | ['DELDEPREVIR SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
