General Information of the Compound
| Compound ID |
CP0526188
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(5-pyrazol-1-ylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H21ClN2O5S
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| Molecular Weight |
436.917
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(s2)-n2cccn2)c1
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| InChI |
InChI=1S/C20H21ClN2O5S/c21-14-4-2-11(20-19(27)18(26)17(25)15(10-24)28-20)8-12(14)9-13-3-5-16(29-13)23-7-1-6-22-23/h1-8,15,17-20,24-27H,9-10H2/t15-,17-,18+,19-,20+/m1/s1
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| InChIKey |
RCLRXHUQCKKASD-PKOFMYQESA-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