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canSAR1145730
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NAMES
    SMILES
    CCCCCNC1C=CN(Cc2ccccc2)c2cc(I)ccc21
    InChI
    InChI=1S/C21H25IN2/c1-2-3-7-13-23-20-12-14-24(16-17-8-5-4-6-9-17)21-15-18(22)10-11-19(20)21/h4-6,8-12,14-15,20,23H,2-3,7,13,16H2,1H3
    MOLECULAR FORMULA
    C21H25IN2
    CROSS REFERENCES
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    canSAR1145730

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.11
    AlogP 5.65
    HBond donors 1
    HBond acceptors 2
    Atoms 49
    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 canSAR1145730.