General Information of the Compound
| Compound ID |
CP0490019
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H26N2O5
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| Molecular Weight |
398.459
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| Canonical SMILES |
CCc1ccc(Cc2nn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1
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| InChI |
InChI=1S/C22H26N2O5/c1-2-13-7-9-14(10-8-13)11-16-15-5-3-4-6-17(15)24(23-16)22-21(28)20(27)19(26)18(12-25)29-22/h3-10,18-22,25-28H,2,11-12H2,1H3/t18-,19-,20+,21-,22-/m1/s1
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| InChIKey |
WUSKPTBDYYQNGS-QMCAAQAGSA-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