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canSAR563673
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NAMES
    SMILES
    NCC1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1
    InChI
    InChI=1S/C24H23F3N4S/c25-24(26,27)17-7-8-19-20(12-17)30-23(29-19)22-10-9-21(32-22)16-5-3-15(4-6-16)14-31-11-1-2-18(31)13-28/h3-10,12,18H,1-2,11,13-14,28H2,(H,29,30)
    MOLECULAR FORMULA
    C24H23F3N4S
    CROSS REFERENCES
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    canSAR563673

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.16
    AlogP 5.90
    HBond donors 3
    HBond acceptors 4
    Atoms 55
    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 canSAR563673.