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canSAR1441494
FEATURES
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NAMES
    SMILES
    N[C@]1(c2ccc(-c3nc4ccc5nnc(C6NCNN6)n5c4cc3-c3ccccc3)cc2)C[C@](O)(C2CC2)C1
    InChI
    InChI=1S/C30H30N8O/c31-29(15-30(39,16-29)21-10-11-21)20-8-6-19(7-9-20)26-22(18-4-2-1-3-5-18)14-24-23(34-26)12-13-25-35-37-28(38(24)25)27-32-17-33-36-27/h1-9,12-14,21,27,32-33,36,39H,10-11,15-17,31H2/t27?,29-,30-
    MOLECULAR FORMULA
    C30H30N8O
    CROSS REFERENCES
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    canSAR1441494

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.25
    AlogP 3.35
    HBond donors 6
    HBond acceptors 9
    Atoms 69
    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 canSAR1441494.