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canSAR1620022
FEATURES
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NAMES
    SMILES
    CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
    InChI
    InChI=1S/2C21H27NO2/c2*1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2*2-10,16,18,21,23-24H,11-15H2,1H3
    MOLECULAR FORMULA
    C42H54N2O4
    CROSS REFERENCES
    1620022 logo

    canSAR1620022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 650.41
    AlogP 7.54
    HBond donors 4
    HBond acceptors 6
    Atoms 102
    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 canSAR1620022.