General Information of the Compound
| Compound ID |
CP0560082
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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-(4-phenylphenyl)triazol-1-yl]oxane-2-carboxylate
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| Formula |
C39H38N5NaO10
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| Molecular Weight |
759.748
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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)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C39H39N5O10.Na/c45-22-34(50)41-35-31(47)19-39(38(52)53,44-21-30(42-43-44)28-12-10-26(11-13-28)24-4-2-1-3-5-24)54-37(35)36(51)32(48)20-40-33(49)18-23-6-8-25(9-7-23)27-14-16-29(46)17-15-27;/h1-17,21,31-32,35-37,45-48,51H,18-20,22H2,(H,40,49)(H,41,50)(H,52,53);/q;+1/p-1/t31-,32+,35+,36+,37+,39+;/m0./s1
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| InChIKey |
KVDRTQVLAQBORG-PHEPOSLRSA-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