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canSAR1018573
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NAMES
    SMILES
    Cc1ccc(Cn2ccnc2/C=N/Nc2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1
    InChI
    InChI=1S/C27H32N8O/c1-21-7-9-22(10-8-21)20-35-14-12-28-25(35)19-30-33-27-31-24-6-3-2-5-23(24)26(32-27)29-11-4-13-34-15-17-36-18-16-34/h2-3,5-10,12,14,19H,4,11,13,15-18,20H2,1H3,(H2,29,31,32,33)/b30-19+
    MOLECULAR FORMULA
    C27H32N8O
    CROSS REFERENCES
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    canSAR1018573

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.27
    AlogP 3.76
    HBond donors 2
    HBond acceptors 9
    Atoms 68
    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 canSAR1018573.