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canSAR1015843
FEATURES
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NAMES
    SMILES
    O=C(NCC1CCCCC1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1
    InChI
    InChI=1S/C29H34N2O3/c32-28(30-20-23-4-2-1-3-5-23)24-8-12-27(13-9-24)34-26-10-6-22(7-11-26)14-17-29(33)21-31-18-15-25(29)16-19-31/h6-13,23,25,33H,1-5,15-16,18-21H2,(H,30,32)/t29-/m0/s1
    MOLECULAR FORMULA
    C29H34N2O3
    CROSS REFERENCES
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    canSAR1015843

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.26
    AlogP 4.60
    HBond donors 2
    HBond acceptors 5
    Atoms 68
    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 canSAR1015843.