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canSAR919401
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NAMES
    SMILES
    N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)ncc(N2CCCC2)c1=O
    InChI
    InChI=1S/C21H26N6O/c22-12-16-6-1-2-7-17(16)14-27-20(28)19(25-9-3-4-10-25)13-24-21(27)26-11-5-8-18(23)15-26/h1-2,6-7,13,18H,3-5,8-11,14-15,23H2/t18-/m1/s1
    MOLECULAR FORMULA
    C21H26N6O
    CROSS REFERENCES
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    canSAR919401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.22
    AlogP 1.69
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR919401.