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canSAR1114059
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NAMES
    SMILES
    CCOc1cc(-c2ccccc2)nc2c(F)c(-c3nc([C@H]4C[C@@H](N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
    InChI
    InChI=1S/C32H34FN7O/c1-3-41-26-19-25(20-7-5-4-6-8-20)36-28-23(26)9-10-24(27(28)33)29-30-31(34)35-11-12-40(30)32(37-29)21-17-22(18-21)39-15-13-38(2)14-16-39/h4-12,19,21-22H,3,13-18H2,1-2H3,(H2,34,35)/t21-,22+
    MOLECULAR FORMULA
    C32H34FN7O
    CROSS REFERENCES
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    canSAR1114059

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.28
    AlogP 5.22
    HBond donors 2
    HBond acceptors 8
    Atoms 75
    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 canSAR1114059.