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canSAR790038
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NAMES
    SMILES
    NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)c(Cl)c3)sc12
    InChI
    InChI=1S/C19H18ClFN4OS/c20-14-6-10(3-4-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/t11-/m0/s1
    MOLECULAR FORMULA
    C19H18ClFN4OS
    CROSS REFERENCES
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    canSAR790038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.09
    AlogP 4.02
    HBond donors 4
    HBond acceptors 5
    Atoms 45
    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 canSAR790038.