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canSAR1427586
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NAMES
    SMILES
    Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1
    InChI
    InChI=1S/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/m0/s1
    MOLECULAR FORMULA
    C21H24N8
    CROSS REFERENCES
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    canSAR1427586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.21
    AlogP 2.66
    HBond donors 3
    HBond acceptors 8
    Atoms 53
    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 canSAR1427586.