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canSAR1918446
FEATURES
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NAMES
    SMILES
    COc1ccnc(C[S+]([O-])c2nc3cc(C(O)(F)F)ccc3[n-]2)c1OC.[Na+]
    InChI
    InChI=1S/C16H14F2N3O4S.Na/c1-24-13-5-6-19-12(14(13)25-2)8-26(23)15-20-10-4-3-9(16(17,18)22)7-11(10)21-15;/h3-7,22H,8H2,1-2H3;/q-1;+1
    MOLECULAR FORMULA
    C16H14F2N3NaO4S
    CROSS REFERENCES
    1918446 logo

    canSAR1918446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.06
    AlogP -1.04
    HBond donors 1
    HBond acceptors 7
    Atoms 41
    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 canSAR1918446.