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canSAR504543
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NAMES
    SMILES
    CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)C(CCc3ccccc3)C2)cc1
    InChI
    InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-29(18-15-26)38(36,37)34-20-25-11-7-8-12-30(25)35(21-27-19-32-23-33-27)28(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-19,23,28H,13,16,20-22H2,1-3H3,(H,32,33)
    MOLECULAR FORMULA
    C31H36N4O2S
    CROSS REFERENCES
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    canSAR504543

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.26
    AlogP 5.92
    HBond donors 1
    HBond acceptors 6
    Atoms 74
    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 canSAR504543.