General Information of the Compound
| Compound ID |
CP0436617
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-chlorobenzyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H22ClNO6
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| Molecular Weight |
419.861
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc(Cl)cc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H22ClNO6/c22-13-6-4-11(5-7-13)8-12-9-23-14-2-1-3-15(17(12)14)28-21-20(27)19(26)18(25)16(10-24)29-21/h1-7,9,16,18-21,23-27H,8,10H2/t16-,18-,19+,20-,21-/m1/s1
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| InChIKey |
DLVLZNPDTGAHNM-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