| BioID | bio197880 |
|---|
| Name | (S)-1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-N5-((S)-2-PHENYLPROPYL)-N5'-((S)-2-PHENYLPROPYL)-2,2'-BINAPHTHYL-5,5'-DICARBOXAMIDE (ATROPISOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1094366 |
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| Molecular Formula | C42H40N2O8 |
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| Molecular Weight | 700.79 |
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| Molecular Weight (Monoisotopic) | 700.2785 |
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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 | None |
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| Smiles | Cc1cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O |
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| Inchi | InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m1/s1 |
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| Inchi Key | RAYNZUHYMMLQQA-DNQXCXABSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 13.0 |
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| Bioactivities | 40.0 |
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| Np Likeness Score | 0.13 |
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| Records Key | ['(S, +, S)-14', '(S, -, S)-13, atropisoer'] |
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| Records Name | [(+)-(S)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((S)-2-phenylpropyl)-N5'-((S)-2-phenylpropyl)-2,2'-binaphthyl-5,5'-dicarboxamide", "(-)-(S)-1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((S)-2-phenylpropyl)-N5'-((S)-2-phenylpropyl)-2,2'-binaphthyl-5,5'-dicarboxamide"]" |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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