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canSAR1038646
FEATURES
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NAMES
    SMILES
    CCCCNC=C1C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21
    InChI
    InChI=1S/C34H46N4O8S/c1-4-5-14-35-18-27-26-17-24(11-12-28(26)36-32(27)40)47(42,43)38(19-22(2)3)20-30(39)29(16-23-9-7-6-8-10-23)37-34(41)46-31-21-45-33-25(31)13-15-44-33/h6-12,17-18,22,25,29-31,33,35,39H,4-5,13-16,19-21H2,1-3H3,(H,36,40)(H,37,41)/t25-,29-,30+,31-,33+/m0/s1
    MOLECULAR FORMULA
    C34H46N4O8S
    CROSS REFERENCES
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    canSAR1038646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 670.30
    AlogP 3.48
    HBond donors 4
    HBond acceptors 12
    Atoms 93
    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 canSAR1038646.