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canSAR986976
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OC3Sc4ccccc4S3)[C@@H](CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C17H18N2O5S2/c1-9-7-19(16(22)18-15(9)21)14-6-10(11(8-20)23-14)24-17-25-12-4-2-3-5-13(12)26-17/h2-5,7,10-11,14,17,20H,6,8H2,1H3,(H,18,21,22)/t10-,11+,14+/m0/s1
    MOLECULAR FORMULA
    C17H18N2O5S2
    CROSS REFERENCES
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    canSAR986976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.07
    AlogP 1.69
    HBond donors 2
    HBond acceptors 7
    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 canSAR986976.