General Information of the Compound
| Compound ID |
CP0485880
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-methoxyphenethyl)-3H-benzo[d][1,2,3]triazol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H25N3O7
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| Molecular Weight |
431.445
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| Canonical SMILES |
COc1ccc(CCn2nnc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
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| InChI |
InChI=1S/C21H25N3O7/c1-29-13-7-5-12(6-8-13)9-10-24-17-14(22-23-24)3-2-4-15(17)30-21-20(28)19(27)18(26)16(11-25)31-21/h2-8,16,18-21,25-28H,9-11H2,1H3/t16-,18-,19+,20-,21-/m1/s1
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| InChIKey |
DVYWFRCMEFBISU-QNDFHXLGSA-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