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canSAR1717557
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NAMES
    SMILES
    C=CCn1c(=O)/c(=C\c2ccccn2)s/c1=C(/C#N)C(=O)NCC1CCCO1
    InChI
    InChI=1S/C20H20N4O3S/c1-2-9-24-19(26)17(11-14-6-3-4-8-22-14)28-20(24)16(12-21)18(25)23-13-15-7-5-10-27-15/h2-4,6,8,11,15H,1,5,7,9-10,13H2,(H,23,25)/b17-11+,20-16-
    MOLECULAR FORMULA
    C20H20N4O3S
    CROSS REFERENCES
    1717557 logo

    canSAR1717557

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.13
    AlogP 0.29
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    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 canSAR1717557.