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canSAR2047979
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NAMES
    SMILES
    C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OCc1cn(Cc2ccc(C)cc2)nn1)c1ccnc2ccc(OC)cc12
    InChI
    InChI=1S/C31H35N5O2/c1-4-23-18-35-14-12-24(23)15-30(35)31(27-11-13-32-29-10-9-26(37-3)16-28(27)29)38-20-25-19-36(34-33-25)17-22-7-5-21(2)6-8-22/h4-11,13,16,19,23-24,30-31H,1,12,14-15,17-18,20H2,2-3H3/t23-,24-,30+,31+/m0/s1
    MOLECULAR FORMULA
    C31H35N5O2
    CROSS REFERENCES
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    canSAR2047979

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.28
    AlogP 5.35
    HBond donors 0
    HBond acceptors 7
    Atoms 73
    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 canSAR2047979.