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canSAR791095
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1
    InChI
    InChI=1S/C27H31NO6S/c1-16-2-7-19(8-3-16)35(31,32)34-21-10-11-27(30)22-14-18-6-9-20(29)24-23(18)26(27,25(21)33-24)12-13-28(22)15-17-4-5-17/h2-3,6-9,17,21-22,25,29-30H,4-5,10-15H2,1H3/t21-,22-,25+,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H31NO6S
    CROSS REFERENCES
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    canSAR791095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.19
    AlogP 3.04
    HBond donors 2
    HBond acceptors 7
    Atoms 66
    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 canSAR791095.