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canSAR933650
FEATURES
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NAMES
    SMILES
    Cn1c(C=CC(=O)Cc2ccccc2)cc2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2
    InChI
    InChI=1S/C33H34N2O4/c1-34-24(10-11-25(36)15-20-5-3-2-4-6-20)16-23-18-33(38)27-17-22-9-12-26(37)30-28(22)32(33,31(39-30)29(23)34)13-14-35(27)19-21-7-8-21/h2-6,9-12,16,21,27,31,37-38H,7-8,13-15,17-19H2,1H3/t27-,31+,32+,33-/m1/s1
    MOLECULAR FORMULA
    C33H34N2O4
    CROSS REFERENCES
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    canSAR933650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.25
    AlogP 4.25
    HBond donors 2
    HBond acceptors 6
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR933650.