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canSAR1832064
FEATURES
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NAMES
    SMILES
    CCCc1cc(O)nc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)n1
    InChI
    InChI=1S/C18H21N3O4S/c1-3-4-12-10-16(22)21-18(20-12)26-11(2)17(23)19-13-5-6-14-15(9-13)25-8-7-24-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,23)(H,20,21,22)
    MOLECULAR FORMULA
    C18H21N3O4S
    CROSS REFERENCES
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    canSAR1832064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.13
    AlogP 3.03
    HBond donors 2
    HBond acceptors 7
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1832064.