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canSAR2021025
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)NCCC[NH+]1CCCC1CC(=O)c1c(C)cccc1O
    InChI
    InChI=1S/C22H34N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,25H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27)/p+1
    MOLECULAR FORMULA
    C22H35N2O3+
    CROSS REFERENCES
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    canSAR2021025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.26
    AlogP 2.41
    HBond donors 3
    HBond acceptors 5
    Atoms 62
    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 canSAR2021025.