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canSAR747309
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N[C@H]3CC[C@H](NCC4CC4)CC3)nc21
    InChI
    InChI=1S/C31H39N7/c1-21(2)38-20-34-28-29(33-19-23-10-12-25(13-11-23)24-6-4-3-5-7-24)36-31(37-30(28)38)35-27-16-14-26(15-17-27)32-18-22-8-9-22/h3-7,10-13,20-22,26-27,32H,8-9,14-19H2,1-2H3,(H2,33,35,36,37)/t26-,27-
    MOLECULAR FORMULA
    C31H39N7
    CROSS REFERENCES
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    canSAR747309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.33
    AlogP 6.41
    HBond donors 3
    HBond acceptors 7
    Atoms 77
    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 canSAR747309.