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canSAR1974511
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NAMES
    SMILES
    COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(Cl)ccc5o4)c(F)c3)c3c(N)ncnc32)CC1
    InChI
    InChI=1S/C27H27ClFN7O3/c1-37-10-11-38-18-6-4-17(5-7-18)36-26-23(25(30)31-14-32-26)24(35-36)15-2-8-20(19(29)12-15)33-27-34-21-13-16(28)3-9-22(21)39-27/h2-3,8-9,12-14,17-18H,4-7,10-11H2,1H3,(H,33,34)(H2,30,31,32)
    MOLECULAR FORMULA
    C27H27ClFN7O3
    CROSS REFERENCES
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    canSAR1974511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.18
    AlogP 5.90
    HBond donors 3
    HBond acceptors 10
    Atoms 66
    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 canSAR1974511.