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canSAR1145906
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NAMES
    SMILES
    CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)Cc1ccc(Cl)cc1
    InChI
    InChI=1S/C21H18BrClN2O4S/c1-2-29-19(27)17-11-30-21(15-10-13(22)5-8-16(15)24-20(21)28)25(17)18(26)9-12-3-6-14(23)7-4-12/h3-8,10,17H,2,9,11H2,1H3,(H,24,28)/t17-,21-/m0/s1
    MOLECULAR FORMULA
    C21H18BrClN2O4S
    CROSS REFERENCES
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    canSAR1145906

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.99
    AlogP 3.96
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145906.