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canSAR343088
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1
    InChI
    InChI=1S/C29H32F3N3O3/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)35-11-7-20(8-12-35)27(17-36)34-9-5-19(6-10-34)23-16-33-26-3-2-21(37)15-22(23)26/h1-4,13-16,19-20,27,33,36-37H,5-12,17H2/b4-1+
    MOLECULAR FORMULA
    C29H32F3N3O3
    CROSS REFERENCES
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    canSAR343088

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.24
    AlogP 4.78
    HBond donors 3
    HBond acceptors 6
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR343088.