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canSAR1203953
FEATURES
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NAMES
    SMILES
    Cn1c2c(c(=O)n1-c1cccc(I)c1)[C@H]1CC[C@]2(C)C1(C)C
    InChI
    InChI=1S/C18H21IN2O/c1-17(2)13-8-9-18(17,3)15-14(13)16(22)21(20(15)4)12-7-5-6-11(19)10-12/h5-7,10,13H,8-9H2,1-4H3/t13-,18+/m1/s1
    MOLECULAR FORMULA
    C18H21IN2O
    CROSS REFERENCES
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    canSAR1203953

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.07
    AlogP 3.96
    HBond donors 0
    HBond acceptors 3
    Atoms 43
    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 canSAR1203953.