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canSAR837545
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NAMES
    SMILES
    CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(CCC)CC3
    InChI
    InChI=1S/C25H31NO3/c1-4-6-10-23(27)29-22-9-7-8-17-15-21-24-18(11-13-26(21)12-5-2)14-19(28-3)16-20(24)25(17)22/h7-9,14,16,21H,4-6,10-13,15H2,1-3H3/t21-/m1/s1
    MOLECULAR FORMULA
    C25H31NO3
    CROSS REFERENCES
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    canSAR837545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.23
    AlogP 5.32
    HBond donors 0
    HBond acceptors 4
    Atoms 60
    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 canSAR837545.