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canSAR1636105
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NAMES
    SMILES
    Br.COc1ccc(-c2csc(CCN3N=C(C)CC3=O)n2)cc1
    InChI
    InChI=1S/C16H17N3O2S.BrH/c1-11-9-16(20)19(18-11)8-7-15-17-14(10-22-15)12-3-5-13(21-2)6-4-12;/h3-6,10H,7-9H2,1-2H3;1H
    MOLECULAR FORMULA
    C16H18BrN3O2S
    CROSS REFERENCES
    1636105 logo

    canSAR1636105

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.03
    AlogP 3.55
    HBond donors 0
    HBond acceptors 5
    Atoms 41
    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 canSAR1636105.