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canSAR565107
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cc[n+](CC)cc2)C(C)=O)C1
    InChI
    InChI=1S/C35H61N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-40-28-33-26-34(41-29-33)30-42-35(39)37(31(3)38)27-32-21-23-36(5-2)24-22-32/h21-24,33-34H,4-20,25-30H2,1-3H3/q+1
    MOLECULAR FORMULA
    C35H61N2O5+
    CROSS REFERENCES
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    canSAR565107

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.46
    AlogP 8.16
    HBond donors 0
    HBond acceptors 7
    Atoms 103
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR565107.