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canSAR1493442
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NAMES
    SMILES
    O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cccc2c1
    InChI
    InChI=1S/C26H21F3N4O2S/c27-26(28,29)19-4-6-23(24(15-19)17-8-11-30-12-9-17)22-3-1-2-18-14-20(5-7-21(18)22)36(34,35)33-25-10-13-31-16-32-25/h1-8,10,13-16,30H,9,11-12H2,(H,31,32,33)
    MOLECULAR FORMULA
    C26H21F3N4O2S
    CROSS REFERENCES
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    canSAR1493442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.13
    AlogP 5.49
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR1493442.