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canSAR1130925
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)CCCOc1ccc(-c2ccc(F)c(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1
    InChI
    InChI=1S/C28H26ClFO8S/c1-39(33,34)8-2-7-35-18-4-5-19(22(29)11-18)16-3-6-23(30)21(9-16)27-15-37-25-12-20-17(10-28(31)32)14-36-24(20)13-26(25)38-27/h3-6,9,11-13,17,27H,2,7-8,10,14-15H2,1H3,(H,31,32)/t17-,27?/m1/s1
    MOLECULAR FORMULA
    C28H26ClFO8S
    CROSS REFERENCES
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    canSAR1130925

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.10
    AlogP 5.42
    HBond donors 1
    HBond acceptors 8
    Atoms 65
    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 canSAR1130925.