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canSAR549321
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NAMES
    SMILES
    COc1cc2c3c(n(CCCN4CCCNCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2
    InChI
    InChI=1S/C27H29N3O6/c1-33-20-11-16-19(14-21(20)34-2)27(32)30(9-4-8-29-7-3-5-28-6-10-29)25-17-12-22-23(36-15-35-22)13-18(17)26(31)24(16)25/h11-14,28H,3-10,15H2,1-2H3
    MOLECULAR FORMULA
    C27H29N3O6
    CROSS REFERENCES
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    canSAR549321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.21
    AlogP 2.64
    HBond donors 1
    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 canSAR549321.