canSAR150295
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](n2cnc3c(CSc4ccccc4I)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C17H17IN4O4S/c18-9-3-1-2-4-12(9)27-6-10-13-16(20-7-19-10)22(8-21-13)17-15(25)14(24)11(5-23)26-17/h1-4,7-8,11,14-15,17,23-25H,5-6H2/t11-,14-,15-,17-/m1/s1
    MOLECULAR FORMULA
    C17H17IN4O4S
    CROSS REFERENCES
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    canSAR150295
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight500.00
    AlogP1.33
    HBond donors3
    HBond acceptors8
    Atoms44
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR150295.