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canSAR1126378
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C36H36N4O7S/c1-35(2)17-27-32(29(41)19-35)31(22-6-5-7-25(16-22)40(44)45)33-28(18-36(3,4)20-30(33)42)39(27)24-12-8-21(9-13-24)34(43)38-23-10-14-26(15-11-23)48(37,46)47/h5-16,31H,17-20H2,1-4H3,(H,38,43)(H2,37,46,47)
    MOLECULAR FORMULA
    C36H36N4O7S
    CROSS REFERENCES
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    canSAR1126378

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.23
    AlogP 6.38
    HBond donors 3
    HBond acceptors 11
    Atoms 84
    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 canSAR1126378.