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canSAR1999816
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NAMES
    SMILES
    CCCCCC/[NH+]=c1\ccn(-c2ccccc2)c2c(-c3ccccc3)cccc12
    InChI
    InChI=1S/C27H28N2/c1-2-3-4-11-20-28-26-19-21-29(23-15-9-6-10-16-23)27-24(17-12-18-25(26)27)22-13-7-5-8-14-22/h5-10,12-19,21H,2-4,11,20H2,1H3/p+1/b28-26+
    MOLECULAR FORMULA
    C27H29N2+
    CROSS REFERENCES
    1999816 logo

    canSAR1999816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.23
    AlogP 4.86
    HBond donors 1
    HBond acceptors 2
    Atoms 58
    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 canSAR1999816.