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canSAR1619820
FEATURES
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NAMES
    SMILES
    C[C@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(-c3ccccc3)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
    InChI
    InChI=1S/C32H38N2O5S/c1-23-19-34(24(2)22-35)40(37,38)32-17-14-26(11-10-25(3)36)18-30(32)39-31(23)21-33(4)20-27-12-15-29(16-13-27)28-8-6-5-7-9-28/h5-9,12-18,23-25,31,35-36H,19-22H2,1-4H3/t23-,24+,25+,31+/m1/s1
    MOLECULAR FORMULA
    C32H38N2O5S
    CROSS REFERENCES
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    canSAR1619820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.25
    AlogP 3.99
    HBond donors 2
    HBond acceptors 7
    Atoms 78
    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 canSAR1619820.