General Information of the Compound
| Compound ID |
CP0485879
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)-1,6-dimethyl-1H-indazol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C25H30N2O7
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| Molecular Weight |
470.522
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| Canonical SMILES |
Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(CCc3ccc4OCCc4c3)nn(C)c2c1
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| InChI |
InChI=1S/C25H30N2O7/c1-13-9-17-21(19(10-13)33-25-24(31)23(30)22(29)20(12-28)34-25)16(26-27(17)2)5-3-14-4-6-18-15(11-14)7-8-32-18/h4,6,9-11,20,22-25,28-31H,3,5,7-8,12H2,1-2H3/t20-,22-,23+,24-,25-/m1/s1
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| InChIKey |
ZAAWWLJUPUYCBB-PRDVQWLOSA-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