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canSAR2016951
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@H]1N
    InChI
    InChI=1S/C30H33F3N4O4/c1-16-11-17(12-24(34)29(16)39-2)20-5-8-35-15-26(20)37-30(38)25-4-3-21(31)28(36-25)27-22(32)13-19(14-23(27)33)41-18-6-9-40-10-7-18/h3-5,8,13-18,24,29H,6-7,9-12,34H2,1-2H3,(H,37,38)/t16-,17+,24+,29+/m0/s1
    MOLECULAR FORMULA
    C30H33F3N4O4
    CROSS REFERENCES
    2016951 logo

    canSAR2016951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.25
    AlogP 5.23
    HBond donors 3
    HBond acceptors 8
    Atoms 74
    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 canSAR2016951.