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canSAR1012875
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NAMES
    SMILES
    N#C[C@H](CCCCN)NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1
    InChI
    InChI=1S/C37H37FN6O3/c38-30-12-8-26(9-13-30)23-44-24-29(32-6-1-2-7-34(32)44)11-15-36(45)43-33-21-28(37(46)42-31(22-40)5-3-4-18-39)10-14-35(33)47-25-27-16-19-41-20-17-27/h1-2,6-10,12-14,16-17,19-21,24,31H,3-5,11,15,18,23,25,39H2,(H,42,46)(H,43,45)/t31-/m0/s1
    MOLECULAR FORMULA
    C37H37FN6O3
    CROSS REFERENCES
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    canSAR1012875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.29
    AlogP 6.12
    HBond donors 4
    HBond acceptors 9
    Atoms 84
    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 canSAR1012875.