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canSAR1836336
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NAMES
    SMILES
    O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNC(=O)c1ccncc1
    InChI
    InChI=1S/C18H14FN5O3S/c19-13-3-1-11(2-4-13)10-24-17(27)14(16(26)22-18(24)28)9-21-23-15(25)12-5-7-20-8-6-12/h1-9,21H,10H2,(H,23,25)(H,22,26,28)/b14-9+
    MOLECULAR FORMULA
    C18H14FN5O3S
    CROSS REFERENCES
    1836336 logo

    canSAR1836336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.08
    AlogP 0.78
    HBond donors 3
    HBond acceptors 8
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1836336.