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canSAR93339
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](n2cnc3c(CSc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C17H17ClN4O4S/c18-9-1-3-10(4-2-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
    MOLECULAR FORMULA
    C17H17ClN4O4S
    CROSS REFERENCES
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    canSAR93339

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.07
    AlogP 1.38
    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 canSAR93339.