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canSAR1860511
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NAMES
    SMILES
    O=C(NCCN1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc(Br)cc1
    InChI
    InChI=1S/C19H21BrN4O3S/c20-14-3-5-15(6-4-14)22-18(26)17(25)21-7-8-23-9-11-24(12-10-23)19(27)16-2-1-13-28-16/h1-6,13H,7-12H2,(H,21,25)(H,22,26)
    MOLECULAR FORMULA
    C19H21BrN4O3S
    CROSS REFERENCES
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    canSAR1860511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.05
    AlogP 2.02
    HBond donors 2
    HBond acceptors 7
    Atoms 49
    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 canSAR1860511.