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canSAR1109904
FEATURES
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NAMES
    SMILES
    COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCOCCOCCOCCOCCOCCN)n1
    InChI
    InChI=1S/C28H42N6O8/c1-22(2)6-8-41-25-20-24(5-4-23(25)21-30)31-26-32-27(35-3)34-28(33-26)42-19-18-40-17-16-39-15-14-38-13-12-37-11-10-36-9-7-29/h4-6,20H,7-19,29H2,1-3H3,(H,31,32,33,34)
    MOLECULAR FORMULA
    C28H42N6O8
    CROSS REFERENCES
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    canSAR1109904

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.31
    AlogP 2.26
    HBond donors 3
    HBond acceptors 14
    Atoms 84
    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 canSAR1109904.