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canSAR182762
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NAMES
    SMILES
    O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5
    InChI
    InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
    MOLECULAR FORMULA
    C29H31ClN2O4
    CROSS REFERENCES
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    canSAR182762

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.20
    AlogP 3.81
    HBond donors 3
    HBond acceptors 6
    Atoms 67
    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 canSAR182762.