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canSAR1105664
FEATURES
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NAMES
    SMILES
    CCN(CC)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
    InChI
    InChI=1S/C33H36N6O3/c1-3-39(4-2)20-21-41-28-16-12-25(13-17-28)30-22-29-31(35-23-36-32(29)42-30)34-19-18-24-10-14-27(15-11-24)38-33(40)37-26-8-6-5-7-9-26/h5-17,22-23H,3-4,18-21H2,1-2H3,(H,34,35,36)(H2,37,38,40)
    MOLECULAR FORMULA
    C33H36N6O3
    CROSS REFERENCES
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    canSAR1105664

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.28
    AlogP 6.91
    HBond donors 3
    HBond acceptors 9
    Atoms 78
    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 canSAR1105664.