General Information of the Compound
| Compound ID |
CP0508556
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(5-pyrimidin-2-ylthiophen-2-yl)methyl]phenyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H24N2O5S
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| Molecular Weight |
428.51
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| Canonical SMILES |
Cc1ccc(cc1Cc1ccc(s1)-c1ncccn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H24N2O5S/c1-12-3-4-13(21-20(28)19(27)18(26)16(11-25)29-21)9-14(12)10-15-5-6-17(30-15)22-23-7-2-8-24-22/h2-9,16,18-21,25-28H,10-11H2,1H3/t16-,18-,19+,20-,21+/m1/s1
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| InChIKey |
MCGHXGVCRJMDGV-RQXATKFSSA-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