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canSAR668528
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NAMES
    SMILES
    OC[C@H]1OC(n2cnc3c(SCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C17H17IN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
    MOLECULAR FORMULA
    C17H17IN4O4S
    CROSS REFERENCES
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    canSAR668528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.00
    AlogP 1.33
    HBond donors 3
    HBond acceptors 8
    Atoms 44
    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 canSAR668528.