General Information of the Compound
| Compound ID |
CP0557182
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| Compound Name |
sodium;(2R,4S,5R,6R)-2-[4-(cyclohexylmethoxy)triazol-1-yl]-6-[(1R,2R)-1,2-dihydroxy-3-[[2-[4-(4-hydroxyphenyl)phenyl]acetyl]amino]propyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylate
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| Formula |
C34H42N5NaO11
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| Molecular Weight |
719.724
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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(OCC2CCCCC2)nn1
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| InChI |
InChI=1S/C34H43N5O11.Na/c40-18-28(45)36-30-25(42)15-34(33(47)48,39-17-29(37-38-39)49-19-21-4-2-1-3-5-21)50-32(30)31(46)26(43)16-35-27(44)14-20-6-8-22(9-7-20)23-10-12-24(41)13-11-23;/h6-13,17,21,25-26,30-32,40-43,46H,1-5,14-16,18-19H2,(H,35,44)(H,36,45)(H,47,48);/q;+1/p-1/t25-,26+,30+,31+,32+,34+;/m0./s1
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| InChIKey |
PLNSRQYWFDXALK-WSQSDIMESA-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