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canSAR829889
FEATURES
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NAMES
    SMILES
    O=C(OCC#CCNc1nnc(-c2cccc3ccccc23)o1)c1cccs1
    InChI
    InChI=1S/C21H15N3O3S/c25-20(18-11-6-14-28-18)26-13-4-3-12-22-21-24-23-19(27-21)17-10-5-8-15-7-1-2-9-16(15)17/h1-2,5-11,14H,12-13H2,(H,22,24)
    MOLECULAR FORMULA
    C21H15N3O3S
    CROSS REFERENCES
    829889 logo

    canSAR829889

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.08
    AlogP 4.22
    HBond donors 1
    HBond acceptors 6
    Atoms 43
    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 canSAR829889.