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canSAR1717344
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CC3)c2O[C@H]1CN(C)Cc1ccncc1
    InChI
    InChI=1S/C26H34N4O4/c1-17-13-30(18(2)16-31)26(33)21-5-4-6-22(28-25(32)20-7-8-20)24(21)34-23(17)15-29(3)14-19-9-11-27-12-10-19/h4-6,9-12,17-18,20,23,31H,7-8,13-16H2,1-3H3,(H,28,32)/t17-,18-,23-/m0/s1
    MOLECULAR FORMULA
    C26H34N4O4
    CROSS REFERENCES
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    canSAR1717344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.26
    AlogP 2.78
    HBond donors 2
    HBond acceptors 8
    Atoms 68
    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 canSAR1717344.