canSAR2093580
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(CC(O)[C@H]2CC[C@H]3[C@@H]4CC=C5CC(OS(N)(=O)=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1
    InChI
    InChI=1S/C31H47NO4S/c1-29(2,3)21-8-6-20(7-9-21)18-28(33)27-13-12-25-24-11-10-22-19-23(36-37(32,34)35)14-16-30(22,4)26(24)15-17-31(25,27)5/h6-10,23-28,33H,11-19H2,1-5H3,(H2,32,34,35)/t23?,24-,25-,26-,27+,28?,30-,31-/m0/s1
    MOLECULAR FORMULA
    C31H47NO4S
    CROSS REFERENCES
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    canSAR2093580
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight529.32
    AlogP6.06
    HBond donors3
    HBond acceptors5
    Atoms84
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093580.