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canSAR1976079
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NAMES
    SMILES
    CC(C)(C)n1c(-c2ccccc2C(=O)NCC2CCCO2)nc2cc(-c3cnc(N)nc3)ccc21
    InChI
    InChI=1S/C27H30N6O2/c1-27(2,3)33-23-11-10-17(18-14-30-26(28)31-15-18)13-22(23)32-24(33)20-8-4-5-9-21(20)25(34)29-16-19-7-6-12-35-19/h4-5,8-11,13-15,19H,6-7,12,16H2,1-3H3,(H,29,34)(H2,28,30,31)
    MOLECULAR FORMULA
    C27H30N6O2
    CROSS REFERENCES
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    canSAR1976079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.24
    AlogP 4.41
    HBond donors 3
    HBond acceptors 8
    Atoms 65
    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 canSAR1976079.