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canSAR2205239
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NAMES
    SMILES
    Nc1nccn2c([C@@H]3CCCN(CC4CCOC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
    InChI
    InChI=1S/C29H30F3N7O2/c30-29(31,32)22-7-9-34-23(14-22)36-28(40)20-5-3-19(4-6-20)24-25-26(33)35-10-12-39(25)27(37-24)21-2-1-11-38(16-21)15-18-8-13-41-17-18/h3-7,9-10,12,14,18,21H,1-2,8,11,13,15-17H2,(H2,33,35)(H,34,36,40)/t18?,21-/m1/s1
    MOLECULAR FORMULA
    C29H30F3N7O2
    CROSS REFERENCES
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    canSAR2205239

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.24
    AlogP 4.86
    HBond donors 3
    HBond acceptors 9
    Atoms 71
    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 canSAR2205239.