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canSAR1636681
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NAMES
    SMILES
    Cc1cc(C)c(-c2nc3c([nH]2)COCC3)cc1C(=O)N1CCC(c2ccc(F)cc2)CC1
    InChI
    InChI=1S/C26H28FN3O2/c1-16-13-17(2)22(14-21(16)25-28-23-9-12-32-15-24(23)29-25)26(31)30-10-7-19(8-11-30)18-3-5-20(27)6-4-18/h3-6,13-14,19H,7-12,15H2,1-2H3,(H,28,29)
    MOLECULAR FORMULA
    C26H28FN3O2
    CROSS REFERENCES
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    canSAR1636681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.22
    AlogP 4.93
    HBond donors 1
    HBond acceptors 5
    Atoms 60
    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 canSAR1636681.