General Information of the Compound
| Compound ID |
CP0557056
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| Compound Name |
sodium;(2R,4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-[[2-[4-(4-hydroxyphenyl)phenyl]acetyl]amino]propyl]-2-[(4-ethynylphenyl)methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylate
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| Formula |
C34H35N2NaO11
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| Molecular Weight |
670.647
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| Canonical SMILES |
[Na+].OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)C#C)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C([O-])=O
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| InChI |
InChI=1S/C34H36N2O11.Na/c1-2-20-3-5-22(6-4-20)19-46-34(33(44)45)16-26(39)30(36-29(42)18-37)32(47-34)31(43)27(40)17-35-28(41)15-21-7-9-23(10-8-21)24-11-13-25(38)14-12-24;/h1,3-14,26-27,30-32,37-40,43H,15-19H2,(H,35,41)(H,36,42)(H,44,45);/q;+1/p-1/t26-,27+,30+,31+,32+,34+;/m0./s1
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| InChIKey |
LURFFRCRVLKSIR-RXHLSFCXSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound