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canSAR1634632
FEATURES
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NAMES
    SMILES
    O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](C/C=C/c1ccc(O)cc1)C2
    InChI
    InChI=1S/C33H30O6/c34-25-14-9-22(10-15-25)7-4-8-24-19-27-29(37)20-30(38)31(28(36)18-11-21-5-2-1-3-6-21)33(27)39-32(24)23-12-16-26(35)17-13-23/h1-7,9-10,12-17,20,24,32,34-35,37-38H,8,11,18-19H2/b7-4+/t24-,32+/m1/s1
    MOLECULAR FORMULA
    C33H30O6
    CROSS REFERENCES
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    canSAR1634632

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.20
    AlogP 6.72
    HBond donors 4
    HBond acceptors 6
    Atoms 69
    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 canSAR1634632.