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canSAR1836056
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NAMES
    SMILES
    CCCCn1nnnc1C(c1cc2ccccc2o1)N1CCN(C(=O)OCC)CC1
    InChI
    InChI=1S/C21H28N6O3/c1-3-5-10-27-20(22-23-24-27)19(18-15-16-8-6-7-9-17(16)30-18)25-11-13-26(14-12-25)21(28)29-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3
    MOLECULAR FORMULA
    C21H28N6O3
    CROSS REFERENCES
    1836056 logo

    canSAR1836056

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.22
    AlogP 3.08
    HBond donors 0
    HBond acceptors 9
    Atoms 58
    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 canSAR1836056.