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canSAR832978
FEATURES
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NAMES
    SMILES
    C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(-c5cccc(C(F)(F)F)c5)ccc4n3)[C@H]12
    InChI
    InChI=1S/C31H30F3NO2/c1-18-29-26(25-8-3-2-5-21(25)17-27(29)30(36)37-18)13-12-24-11-9-22-15-20(10-14-28(22)35-24)19-6-4-7-23(16-19)31(32,33)34/h4,6-7,9-16,18,21,25-27,29H,2-3,5,8,17H2,1H3/b13-12+/t18-,21+,25-,26+,27-,29+/m1/s1
    MOLECULAR FORMULA
    C31H30F3NO2
    CROSS REFERENCES
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    canSAR832978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.22
    AlogP 7.94
    HBond donors 0
    HBond acceptors 3
    Atoms 67
    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 canSAR832978.