canSAR545890
FEATURES
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NAMES
    SMILES
    c1ccc2c(c1)c(N1CCCCCC1)cc[n+]2Cc1ccc(-c2ccc(C[n+]3ccc(N4CCCCCC4)c4ccccc43)cc2)cc1
    InChI
    InChI=1S/C44H48N4/c1-2-10-28-45(27-9-1)43-25-31-47(41-15-7-5-13-39(41)43)33-35-17-21-37(22-18-35)38-23-19-36(20-24-38)34-48-32-26-44(40-14-6-8-16-42(40)48)46-29-11-3-4-12-30-46/h5-8,13-26,31-32H,1-4,9-12,27-30,33-34H2/q+2
    MOLECULAR FORMULA
    C44H48N4+2
    CROSS REFERENCES
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    canSAR545890
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight632.39
    AlogP9.09
    HBond donors0
    HBond acceptors4
    Atoms96
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545890.