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canSAR743013
FEATURES
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NAMES
    SMILES
    CCCCCCCCOc1ccc2c3cc[n+](Cc4ccccc4)c(C)c3n(CCCc3ccccc3)c2c1
    InChI
    InChI=1S/C36H43N2O/c1-3-4-5-6-7-14-26-39-32-21-22-33-34-23-25-37(28-31-18-12-9-13-19-31)29(2)36(34)38(35(33)27-32)24-15-20-30-16-10-8-11-17-30/h8-13,16-19,21-23,25,27H,3-7,14-15,20,24,26,28H2,1-2H3/q+1
    MOLECULAR FORMULA
    C36H43N2O+
    CROSS REFERENCES
    743013 logo

    canSAR743013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.34
    AlogP 8.81
    HBond donors 0
    HBond acceptors 3
    Atoms 82
    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 canSAR743013.