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canSAR2094597
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NAMES
    SMILES
    Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C(N)=O)cc2)n1
    InChI
    InChI=1S/C22H22N4O/c1-14-24-20(16-9-11-17(12-10-16)22(23)27)13-21(25-14)26-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3,(H2,23,27)(H,24,25,26)/t19-/m1/s1
    MOLECULAR FORMULA
    C22H22N4O
    CROSS REFERENCES
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    canSAR2094597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.18
    AlogP 4.04
    HBond donors 3
    HBond acceptors 5
    Atoms 49
    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 canSAR2094597.