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canSAR548536
FEATURES
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NAMES
    SMILES
    CCC(C)C1CCCc2c1nn(-c1ccc(F)cc1)c2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]
    InChI
    InChI=1S/C24H31FN2O4/c1-3-15(2)20-5-4-6-21-22(12-11-18(28)13-19(29)14-23(30)31)27(26-24(20)21)17-9-7-16(25)8-10-17/h7-12,15,18-20,28-29H,3-6,13-14H2,1-2H3,(H,30,31)/p-1/b12-11+/t15?,18-,19-,20?/m1/s1
    MOLECULAR FORMULA
    C24H30FN2O4-
    CROSS REFERENCES
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    canSAR548536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.22
    AlogP 2.74
    HBond donors 2
    HBond acceptors 6
    Atoms 61
    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 canSAR548536.