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canSAR829461
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NAMES
    SMILES
    O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1
    InChI
    InChI=1S/C23H24N6O2/c30-22-29(20-4-1-2-11-24-20)16-23(31-22)9-7-17(8-10-23)14-27-19-6-5-18(15-28-19)21-25-12-3-13-26-21/h1-6,11-13,15,17H,7-10,14,16H2,(H,27,28)/t17-,23-
    MOLECULAR FORMULA
    C23H24N6O2
    CROSS REFERENCES
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    canSAR829461

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.20
    AlogP 3.93
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    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 canSAR829461.