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canSAR546449
FEATURES
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NAMES
    SMILES
    COc1cc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2
    InChI
    InChI=1S/C27H29N3O6/c1-28-7-9-29(10-8-28)5-4-6-30-25-17-12-22-23(36-15-35-22)13-18(17)26(31)24(25)16-11-20(33-2)21(34-3)14-19(16)27(30)32/h11-14H,4-10,15H2,1-3H3
    MOLECULAR FORMULA
    C27H29N3O6
    CROSS REFERENCES
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    canSAR546449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.21
    AlogP 2.60
    HBond donors 0
    HBond acceptors 9
    Atoms 65
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546449.