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canSAR1834731
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(CS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2C=O
    InChI
    InChI=1S/C20H26O4S/c1-20-9-8-17-16-5-2-13(12-25(22,23)24)10-14(16)3-6-18(17)19(20)7-4-15(20)11-21/h2,5,10-11,15,17-19H,3-4,6-9,12H2,1H3,(H,22,23,24)/t15?,17-,18-,19+,20-/m1/s1
    MOLECULAR FORMULA
    C20H26O4S
    CROSS REFERENCES
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    canSAR1834731

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 362.16
    AlogP 3.75
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    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 canSAR1834731.