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canSAR1409452
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NAMES
    SMILES
    c1cc2c3cnc(Nc4ccc(NCC5CCCCN5)nn4)nc3n(C3CCCC3)c2cn1
    InChI
    InChI=1S/C24H29N9/c1-2-7-17(6-1)33-20-15-25-12-10-18(20)19-14-28-24(30-23(19)33)29-22-9-8-21(31-32-22)27-13-16-5-3-4-11-26-16/h8-10,12,14-17,26H,1-7,11,13H2,(H,27,31)(H,28,29,30,32)
    MOLECULAR FORMULA
    C24H29N9
    CROSS REFERENCES
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    canSAR1409452

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.25
    AlogP 4.18
    HBond donors 3
    HBond acceptors 9
    Atoms 62
    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 canSAR1409452.