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canSAR2204575
FEATURES
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NAMES
    SMILES
    COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)S(C)(=O)=O)C2
    InChI
    InChI=1S/C33H42N2O5S/c1-38-26-12-11-24-17-27-31-13-14-33(39-2,25(18-31)21-35(41(3,36)37)20-22-7-5-4-6-8-22)30-32(31,28(24)29(26)40-30)15-16-34(27)19-23-9-10-23/h4-8,11-12,23,25,27,30H,9-10,13-21H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
    MOLECULAR FORMULA
    C33H42N2O5S
    CROSS REFERENCES
    2204575 logo

    canSAR2204575

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.28
    AlogP 4.38
    HBond donors 0
    HBond acceptors 7
    Atoms 83
    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 canSAR2204575.