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canSAR1587476
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NAMES
    SMILES
    O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
    InChI
    InChI=1S/C25H23N3O2/c29-24-14-19(30-15-16-4-2-1-3-5-16)10-11-28(24)18-7-8-20-22(13-18)27-23-12-17-6-9-21(26-17)25(20)23/h1-5,7-8,10-11,13-14,17,21,26-27H,6,9,12,15H2
    MOLECULAR FORMULA
    C25H23N3O2
    CROSS REFERENCES
    1587476 logo

    canSAR1587476

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.18
    AlogP 4.25
    HBond donors 2
    HBond acceptors 5
    Atoms 53
    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 canSAR1587476.