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canSAR1125384
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NAMES
    SMILES
    COc1ccc2c(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c(=O)oc2c1
    InChI
    InChI=1S/C29H29NO4/c1-32-24-14-15-25-26(20-24)34-29(31)28(21-8-4-2-5-9-21)27(25)22-10-12-23(13-11-22)33-19-18-30-16-6-3-7-17-30/h2,4-5,8-15,20H,3,6-7,16-19H2,1H3
    MOLECULAR FORMULA
    C29H29NO4
    CROSS REFERENCES
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    canSAR1125384

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.21
    AlogP 6.00
    HBond donors 0
    HBond acceptors 5
    Atoms 63
    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 canSAR1125384.