General Information of the Compound
| Compound ID |
CP0474698
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| Compound Name |
3-[3-[4-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxymethyl]triazol-1-yl]propoxy]benzoic acid
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| Structure |
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| Formula |
C41H39N3O12
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| Molecular Weight |
765.772
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| Canonical SMILES |
CO[C@H]1O[C@H](COCc2cn(CCCOc3cccc(c3)C(O)=O)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
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| InChI |
InChI=1S/C41H39N3O12/c1-50-41-36(56-40(49)29-17-9-4-10-18-29)35(55-39(48)28-15-7-3-8-16-28)34(54-38(47)27-13-5-2-6-14-27)33(53-41)26-51-25-31-24-44(43-42-31)21-12-22-52-32-20-11-19-30(23-32)37(45)46/h2-11,13-20,23-24,33-36,41H,12,21-22,25-26H2,1H3,(H,45,46)/t33-,34-,35+,36-,41+/m1/s1
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| InChIKey |
QQCDFXCYMYPMAM-WIESDFACSA-N
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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