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canSAR1970723
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NAMES
    SMILES
    C[C@@]1(c2cc(NC(=O)c3cnc(NCC#N)cn3)ccc2F)CCSC(N)=N1
    InChI
    InChI=1S/C18H18FN7OS/c1-18(4-7-28-17(21)26-18)12-8-11(2-3-13(12)19)25-16(27)14-9-24-15(10-23-14)22-6-5-20/h2-3,8-10H,4,6-7H2,1H3,(H2,21,26)(H,22,24)(H,25,27)/t18-/m0/s1
    MOLECULAR FORMULA
    C18H18FN7OS
    CROSS REFERENCES
    1970723 logo

    canSAR1970723

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.13
    AlogP 2.47
    HBond donors 4
    HBond acceptors 8
    Atoms 46
    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 canSAR1970723.