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canSAR1834728
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NAMES
    SMILES
    CC(C)(O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1
    InChI
    InChI=1S/C27H31FN2O3/c1-27(2,33)14-13-19-5-7-20(8-6-19)25-23-17-29(15-3-4-16-30(23)24(25)18-31)26(32)21-9-11-22(28)12-10-21/h5-12,23-25,31,33H,3-4,15-18H2,1-2H3/t23-,24-,25+/m0/s1
    MOLECULAR FORMULA
    C27H31FN2O3
    CROSS REFERENCES
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    canSAR1834728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.23
    AlogP 3.01
    HBond donors 2
    HBond acceptors 5
    Atoms 64
    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 canSAR1834728.