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canSAR1268625
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NAMES
    SMILES
    CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@H](F)C4)ccn3)c2s1
    InChI
    InChI=1S/C27H30FN7O2S/c1-4-29-25(36)34-26-33-22-11-17(18-12-31-24(32-13-18)27(2,3)37)10-20(23(22)38-26)21-9-16(5-7-30-21)14-35-8-6-19(28)15-35/h5,7,9-13,19,37H,4,6,8,14-15H2,1-3H3,(H2,29,33,34,36)/t19-/m0/s1
    MOLECULAR FORMULA
    C27H30FN7O2S
    CROSS REFERENCES
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    canSAR1268625

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.22
    AlogP 4.73
    HBond donors 3
    HBond acceptors 9
    Atoms 68
    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 canSAR1268625.