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canSAR1982391
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NAMES
    SMILES
    O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CCNCC2)c1)C1CC1
    InChI
    InChI=1S/C27H25ClFN5O2/c28-22-10-17(11-23(29)27(22)36)16-3-4-24-20(9-16)25(21(13-31-24)26(35)15-1-2-15)33-18-12-32-34(14-18)19-5-7-30-8-6-19/h3-4,9-15,19,30,36H,1-2,5-8H2,(H,31,33)
    MOLECULAR FORMULA
    C27H25ClFN5O2
    CROSS REFERENCES
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    canSAR1982391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.17
    AlogP 5.86
    HBond donors 3
    HBond acceptors 7
    Atoms 61
    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 canSAR1982391.