General Information of the Compound
| Compound ID |
CP0428913
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| Compound Name |
O-[4-[[2-chloro-5-[(2S,3R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]phenyl]methyl]phenyl] N,N-dimethylcarbamothioate
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| Structure |
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| Formula |
C22H26ClNO6S
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| Molecular Weight |
467.971
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| Canonical SMILES |
COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OC(=S)N(C)C)cc2)c1
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| InChI |
InChI=1S/C22H26ClNO6S/c1-24(2)22(31)29-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)23)20-18(26)17(25)19(27)21(28-3)30-20/h4-9,11,17-21,25-27H,10H2,1-3H3/t17-,18-,19+,20+,21?/m1/s1
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| InChIKey |
ZEWWRYWRLJNZMV-AUGMSIGLSA-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