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canSAR1517536
FEATURES
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NAMES
    SMILES
    CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3c(C)n(CCO)n(Cc4ccc(F)c(F)c4)c3=O)cc12
    InChI
    InChI=1S/C29H30F2N6O3/c1-4-35(5-2)27-22-15-20(9-11-25(22)33-18-34-27)7-6-12-32-28(39)26-19(3)36(13-14-38)37(29(26)40)17-21-8-10-23(30)24(31)16-21/h8-11,15-16,18,38H,4-5,12-14,17H2,1-3H3,(H,32,39)
    MOLECULAR FORMULA
    C29H30F2N6O3
    CROSS REFERENCES
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    canSAR1517536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.23
    AlogP 2.85
    HBond donors 2
    HBond acceptors 9
    Atoms 70
    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 canSAR1517536.