General Information of the Compound
| Compound ID |
CP0504769
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]-4-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C18H21ClO5S
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| Molecular Weight |
384.881
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| Canonical SMILES |
Cc1cc(sc1Cc1ccc(Cl)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C18H21ClO5S/c1-9-6-14(18-17(23)16(22)15(21)12(8-20)24-18)25-13(9)7-10-2-4-11(19)5-3-10/h2-6,12,15-18,20-23H,7-8H2,1H3/t12-,15-,16+,17-,18+/m1/s1
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| InChIKey |
RLPKQMBDGCYRPW-CUWKQTPXSA-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