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canSAR1616094
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)NC2CCN(C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1
    InChI
    InChI=1S/C29H30F4N6O5/c1-38-9-8-19(23(14-38)43-4)35-25(40)16-10-22(42-3)20(11-18(16)30)36-28-34-12-17(29(31,32)33)26(37-28)44-21-7-5-6-15-13-39(2)27(41)24(15)21/h5-7,10-12,19,23H,8-9,13-14H2,1-4H3,(H,35,40)(H,34,36,37)/t19?,23-/m1/s1
    MOLECULAR FORMULA
    C29H30F4N6O5
    CROSS REFERENCES
    1616094 logo

    canSAR1616094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.22
    AlogP 4.21
    HBond donors 2
    HBond acceptors 11
    Atoms 74
    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 canSAR1616094.