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canSAR785373
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NAMES
    SMILES
    Cn1nc(C(F)(F)F)c(CN2CCN3C[C@@H](CNc4nc(N)n5nc(-c6ccco6)nc5n4)CC[C@@H]3C2)c1Cl
    InChI
    InChI=1S/C23H27ClF3N11O/c1-35-18(24)15(17(33-35)23(25,26)27)12-36-6-7-37-10-13(4-5-14(37)11-36)9-29-21-31-20(28)38-22(32-21)30-19(34-38)16-3-2-8-39-16/h2-3,8,13-14H,4-7,9-12H2,1H3,(H3,28,29,30,31,32,34)/t13-,14-/m1/s1
    MOLECULAR FORMULA
    C23H27ClF3N11O
    CROSS REFERENCES
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    canSAR785373

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.20
    AlogP 2.78
    HBond donors 3
    HBond acceptors 12
    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 canSAR785373.