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canSAR2208075
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NAMES
    SMILES
    C[C@@H](Nc1ncnc2nc(N[C@@H](CO)c3ccccc3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
    InChI
    InChI=1S/C27H29F3N6O/c1-17(19-8-5-9-19)33-24-23-25(32-16-31-24)35-26(34-22(15-37)20-6-3-2-4-7-20)36(23)14-18-10-12-21(13-11-18)27(28,29)30/h2-4,6-7,10-13,16-17,19,22,37H,5,8-9,14-15H2,1H3,(H2,31,32,33,34,35)/t17-,22+/m1/s1
    MOLECULAR FORMULA
    C27H29F3N6O
    CROSS REFERENCES
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    canSAR2208075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.24
    AlogP 5.64
    HBond donors 3
    HBond acceptors 7
    Atoms 66
    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 canSAR2208075.