| BioID | bio198668 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL442738 |
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| Molecular Formula | C32H48N4O6S |
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| Molecular Weight | 616.83 |
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| Molecular Weight (Monoisotopic) | 616.3295 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE |
|---|
| Smiles | CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc(N)cc1 |
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| Inchi | InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1 |
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| Inchi Key | FBNSKSOTNMECSA-FLBADVGZSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 4.0 |
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| Bioactivities | 15.0 |
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| Np Likeness Score | 0.37 |
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| Records Key | ['1', '8a'] |
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| Records Name | ['4-Amino-N-[2-hydroxy-2-(10-isopropyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide', '4-Amino-N-[(S)-2-(R)-hydroxy-2-((S)-10-isopropyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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