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canSAR464412
FEATURES
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NAMES
    SMILES
    CCCS(=O)(=O)c1cc(C2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(O)cc1
    InChI
    InChI=1S/C31H38O9S2/c1-6-15-42(33,34)29-19-21(18-28(37-4)31(29)39-13-14-41-23-9-7-22(32)8-10-23)25-12-11-24(40-25)20-16-26(35-2)30(38-5)27(17-20)36-3/h7-10,16-19,24-25,32H,6,11-15H2,1-5H3/t24-,25?/m0/s1
    MOLECULAR FORMULA
    C31H38O9S2
    CROSS REFERENCES
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    canSAR464412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.20
    AlogP 6.37
    HBond donors 1
    HBond acceptors 9
    Atoms 80
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR464412.