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canSAR988679
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NAMES
    SMILES
    O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
    InChI
    InChI=1S/C27H25N5O3/c33-25-24-17-30(26(34)29-22-11-12-28-16-21(22)19-9-5-2-6-10-19)13-14-31(24)27(35)32(25)23-15-20(23)18-7-3-1-4-8-18/h1-12,16,20,23-24H,13-15,17H2,(H,28,29,34)/t20-,23+,24?/m1/s1
    MOLECULAR FORMULA
    C27H25N5O3
    CROSS REFERENCES
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    canSAR988679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.20
    AlogP 3.79
    HBond donors 1
    HBond acceptors 8
    Atoms 60
    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 canSAR988679.