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canSAR1401911
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NAMES
    SMILES
    C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)C2.[I-]
    InChI
    InChI=1S/C24H30N2O.HI/c1-26(2)21-13-14-22(26)16-18(15-21)17-24(23(25)27,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18,21-22H,13-17H2,1-2H3,(H-,25,27);1H/t18-,21+,22-;
    MOLECULAR FORMULA
    C24H31IN2O
    CROSS REFERENCES
    1401911 logo

    canSAR1401911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.15
    AlogP 0.87
    HBond donors 2
    HBond acceptors 3
    Atoms 59
    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 canSAR1401911.