Bioactive Compound Details
| BioID | bio199700 |
|---|---|
| Name | MILADEMETAN TOSYLATE |
| ChEMBL ID | CHEMBL4297374 |
| Molecular Formula | C37H42Cl2FN5O7S |
| Molecular Weight | 790.74 |
| Molecular Weight (Monoisotopic) | 617.1972 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CC1(C)CCC2(CC1)N[C@@H](C(=O)N[C@@H]1CC[C@@H](C(N)=O)OC1)[C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc21.Cc1ccc(S(=O)(=O)O)cc1 |
| Inchi | InChI=1S/C30H34Cl2FN5O4.C7H8O3S/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10)/t16-,20+,21+,23-,30-;/m1./s1 |
| Inchi Key | NHIUKVHKLJSJEA-LINJWFRASA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.13 |
| Records Key | ['MILADEMETAN TOSYLATE', 'MILADEMETAN TOSYLATE'] |
| Records Name | ['MILADEMETAN TOSYLATE', 'MILADEMETAN TOSYLATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
