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canSAR1019114
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NAMES
    SMILES
    CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1
    InChI
    InChI=1S/C28H34N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25-,27-,28-/m1/s1
    MOLECULAR FORMULA
    C28H34N2O4
    CROSS REFERENCES
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    canSAR1019114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.25
    AlogP 3.72
    HBond donors 2
    HBond acceptors 6
    Atoms 68
    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 canSAR1019114.