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canSAR1651829
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccc(C(F)(F)F)cc3)cnc2O[C@H]1CN(C)C(=O)Nc1ccccc1
    InChI
    InChI=1S/C31H31F3N4O4/c1-20-17-38(21(2)19-39)29(40)26-15-23(10-9-22-11-13-24(14-12-22)31(32,33)34)16-35-28(26)42-27(20)18-37(3)30(41)36-25-7-5-4-6-8-25/h4-8,11-16,20-21,27,39H,17-19H2,1-3H3,(H,36,41)/t20-,21+,27-/m0/s1
    MOLECULAR FORMULA
    C31H31F3N4O4
    CROSS REFERENCES
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    canSAR1651829

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.23
    AlogP 4.88
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    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 canSAR1651829.