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canSAR1441874
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NAMES
    SMILES
    CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2cc3c(cc2s1)OCO3
    InChI
    InChI=1S/C18H18BrN3O3S2/c1-21(2)6-3-7-22(17(23)14-4-5-16(19)26-14)18-20-11-8-12-13(25-10-24-12)9-15(11)27-18/h4-5,8-9H,3,6-7,10H2,1-2H3
    MOLECULAR FORMULA
    C18H18BrN3O3S2
    CROSS REFERENCES
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    canSAR1441874

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.00
    AlogP 4.45
    HBond donors 0
    HBond acceptors 6
    Atoms 45
    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 canSAR1441874.