General Information of the Compound
| Compound ID |
CP0574503
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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]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-(4-phenyltriazol-1-yl)oxane-2-carboxylate
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| Formula |
C33H34N5NaO10
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| Molecular Weight |
683.65
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| Canonical SMILES |
[Na+].OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)(C([O-])=O)n1cc(nn1)-c1ccccc1
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| InChI |
InChI=1S/C33H35N5O10.Na/c39-18-28(44)35-29-25(41)15-33(32(46)47,38-17-24(36-37-38)22-4-2-1-3-5-22)48-31(29)30(45)26(42)16-34-27(43)14-19-6-8-20(9-7-19)21-10-12-23(40)13-11-21;/h1-13,17,25-26,29-31,39-42,45H,14-16,18H2,(H,34,43)(H,35,44)(H,46,47);/q;+1/p-1/t25-,26+,29+,30+,31+,33+;/m0./s1
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| InChIKey |
XHHNDAZPTUFPPE-UIMVIWKFSA-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