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canSAR1132371
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NAMES
    SMILES
    CC(C)CNc1nccc(NCCN(C)c2cc(-c3ccccc3)nc(N)n2)n1
    InChI
    InChI=1S/C21H28N8/c1-15(2)14-25-21-24-10-9-18(27-21)23-11-12-29(3)19-13-17(26-20(22)28-19)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H2,22,26,28)(H2,23,24,25,27)
    MOLECULAR FORMULA
    C21H28N8
    CROSS REFERENCES
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    canSAR1132371

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.24
    AlogP 3.13
    HBond donors 4
    HBond acceptors 8
    Atoms 57
    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 canSAR1132371.