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canSAR1067734
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NAMES
    SMILES
    O=C([C@@H]1C[C@H](n2cc(-c3ccccc3)nn2)CN1C(=O)OCc1ccccc1)N1CCCC1
    InChI
    InChI=1S/C25H27N5O3/c31-24(28-13-7-8-14-28)23-15-21(30-17-22(26-27-30)20-11-5-2-6-12-20)16-29(23)25(32)33-18-19-9-3-1-4-10-19/h1-6,9-12,17,21,23H,7-8,13-16,18H2/t21-,23-/m0/s1
    MOLECULAR FORMULA
    C25H27N5O3
    CROSS REFERENCES
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    canSAR1067734

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.21
    AlogP 3.52
    HBond donors 0
    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 canSAR1067734.