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canSAR1019074
FEATURES
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NAMES
    SMILES
    CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)C(=CNCc1ccccc1)C(=O)N2
    InChI
    InChI=1S/C37H44N4O8S/c1-24(2)21-41(50(45,46)27-13-14-31-29(18-27)30(35(43)39-31)20-38-19-26-11-7-4-8-12-26)22-33(42)32(17-25-9-5-3-6-10-25)40-37(44)49-34-23-48-36-28(34)15-16-47-36/h3-14,18,20,24,28,32-34,36,38,42H,15-17,19,21-23H2,1-2H3,(H,39,43)(H,40,44)/t28-,32-,33+,34-,36+/m0/s1
    MOLECULAR FORMULA
    C37H44N4O8S
    CROSS REFERENCES
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    canSAR1019074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 704.29
    AlogP 3.88
    HBond donors 4
    HBond acceptors 12
    Atoms 94
    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 canSAR1019074.