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canSAR2049607
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1
    InChI
    InChI=1S/C39H35N3O6/c1-45-38-24-28(16-19-32(43)20-18-30-12-9-11-29-10-3-4-13-33(29)30)17-21-36(38)47-27-31-26-42(41-40-31)22-7-2-8-23-46-37-25-39(44)48-35-15-6-5-14-34(35)37/h3-6,9-21,24-26H,2,7-8,22-23,27H2,1H3/b19-16+,20-18+
    MOLECULAR FORMULA
    C39H35N3O6
    CROSS REFERENCES
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    canSAR2049607

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 641.25
    AlogP 7.67
    HBond donors 0
    HBond acceptors 9
    Atoms 83
    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 canSAR2049607.