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canSAR1999547
FEATURES
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NAMES
    SMILES
    Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccnc1
    InChI
    InChI=1S/C17H16N6O3S/c18-23-16(11-2-1-5-19-9-11)21-22-17(23)27-10-15(24)20-12-3-4-13-14(8-12)26-7-6-25-13/h1-5,8-9H,6-7,10,18H2,(H,20,24)
    MOLECULAR FORMULA
    C17H16N6O3S
    CROSS REFERENCES
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    canSAR1999547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.10
    AlogP 1.56
    HBond donors 3
    HBond acceptors 9
    Atoms 43
    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 canSAR1999547.