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canSAR829530
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N1C(=O)CCC1=O)=C(C#N)C2c1ccc(Cl)cc1
    InChI
    InChI=1S/C28H25ClN4O5S/c1-28(2)13-21-26(22(34)14-28)25(16-3-5-17(29)6-4-16)20(15-30)27(33-23(35)11-12-24(33)36)32(21)18-7-9-19(10-8-18)39(31,37)38/h3-10,25H,11-14H2,1-2H3,(H2,31,37,38)
    MOLECULAR FORMULA
    C28H25ClN4O5S
    CROSS REFERENCES
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    canSAR829530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.12
    AlogP 4.12
    HBond donors 2
    HBond acceptors 9
    Atoms 64
    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 canSAR829530.