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canSAR1147194
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NAMES
    SMILES
    COc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(SCc3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1
    InChI
    InChI=1S/C33H33ClO5S/c1-35-24-12-8-21(9-13-24)30-31(22-14-25(36-2)16-26(15-22)37-3)33(40-19-20-6-10-23(34)11-7-20)28-17-27(38-4)18-29(39-5)32(28)30/h6-18,30-31,33H,19H2,1-5H3/t30-,31-,33?/m0/s1
    MOLECULAR FORMULA
    C33H33ClO5S
    CROSS REFERENCES
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    canSAR1147194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.17
    AlogP 8.29
    HBond donors 0
    HBond acceptors 5
    Atoms 73
    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 canSAR1147194.