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canSAR1720271
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NAMES
    SMILES
    CCCCNCC(O)COc1ccccc1-c1ccc(N/N=C/c2cccc3ccccc23)nn1
    InChI
    InChI=1S/C28H31N5O2/c1-2-3-17-29-19-23(34)20-35-27-14-7-6-13-25(27)26-15-16-28(33-31-26)32-30-18-22-11-8-10-21-9-4-5-12-24(21)22/h4-16,18,23,29,34H,2-3,17,19-20H2,1H3,(H,32,33)
    MOLECULAR FORMULA
    C28H31N5O2
    CROSS REFERENCES
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    canSAR1720271

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.25
    AlogP 4.87
    HBond donors 3
    HBond acceptors 7
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1720271.