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canSAR2087986
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](C[C@H](c4ccc(OS(N)(=O)=O)cc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O
    InChI
    InChI=1S/C25H31NO5S/c1-24-11-9-16(27)13-22(24)18(15-3-5-17(6-4-15)31-32(26,29)30)14-19-20-7-8-23(28)25(20,2)12-10-21(19)24/h3-6,13,18-21H,7-12,14H2,1-2H3,(H2,26,29,30)/t18-,19+,20+,21+,24-,25+/m1/s1
    MOLECULAR FORMULA
    C25H31NO5S
    CROSS REFERENCES
    2087986 logo

    canSAR2087986

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.19
    AlogP 4.06
    HBond donors 2
    HBond acceptors 6
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2087986.