General Information of the Compound
| Compound ID |
CP0502861
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(2-(2-(1H-1,2,4-triazol-1-yl)ethoxy)-4-chloro-5-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H25ClN4O7S
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| Molecular Weight |
549.005
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ncc(s2)-c2ccco2)c(Cl)cc1OCCn1cncn1
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| InChI |
InChI=1S/C24H25ClN4O7S/c25-15-8-17(35-5-3-29-12-26-11-28-29)14(24-23(33)22(32)21(31)18(10-30)36-24)6-13(15)7-20-27-9-19(37-20)16-2-1-4-34-16/h1-2,4,6,8-9,11-12,18,21-24,30-33H,3,5,7,10H2/t18-,21-,22+,23-,24+/m1/s1
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| InChIKey |
GANITVSXDMAGSY-MWFZDGHISA-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