General Information of the Compound
| Compound ID |
CP0438913
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| Compound Name |
(3R,4R,5S,6R)-2-(4-Chloro-3-((5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H22Cl2N2O5S
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| Molecular Weight |
497.4
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| Canonical SMILES |
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(Cc3ccc(Cl)cc3)s2)c1
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| InChI |
InChI=1S/C22H22Cl2N2O5S/c23-14-4-1-11(2-5-14)7-17-25-26-18(32-17)9-13-8-12(3-6-15(13)24)22-21(30)20(29)19(28)16(10-27)31-22/h1-6,8,16,19-22,27-30H,7,9-10H2/t16-,19-,20+,21-,22?/m1/s1
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| InChIKey |
OTUSTAIHTBKJBP-SQGFOMTPSA-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