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canSAR1861330
FEATURES
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NAMES
    SMILES
    COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@](CCCCN2C(=O)c4ccccc4C2=O)(Cc2cc(OC)c(OC)cc21)O3
    InChI
    InChI=1S/C33H29NO9/c1-38-19-10-11-22-24(15-19)41-32(37)27-28(22)42-33(17-18-14-25(39-2)26(40-3)16-23(18)29(27)43-33)12-6-7-13-34-30(35)20-8-4-5-9-21(20)31(34)36/h4-5,8-11,14-16,29H,6-7,12-13,17H2,1-3H3/t29?,33-/m1/s1
    MOLECULAR FORMULA
    C33H29NO9
    CROSS REFERENCES
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    canSAR1861330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.18
    AlogP 5.04
    HBond donors 0
    HBond acceptors 10
    Atoms 72
    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 canSAR1861330.