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canSAR2051008
FEATURES
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NAMES
    SMILES
    Cc1ccc([C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc3c(c2)CCS3(=O)=O)c2c1O[C@@H]1[C@@H](C(=O)O)[C@H]21
    InChI
    InChI=1S/C28H35NO7S/c1-15-5-7-20(22-23-24(27(31)32)26(23)36-25(15)22)16(2)35-14-19(30)13-29-28(3,4)12-17-6-8-21-18(11-17)9-10-37(21,33)34/h5-8,11,16,19,23-24,26,29-30H,9-10,12-14H2,1-4H3,(H,31,32)/t16-,19-,23+,24+,26+/m1/s1
    MOLECULAR FORMULA
    C28H35NO7S
    CROSS REFERENCES
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    canSAR2051008

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.21
    AlogP 2.93
    HBond donors 3
    HBond acceptors 8
    Atoms 72
    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 canSAR2051008.