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canSAR843805
FEATURES
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NAMES
    SMILES
    COc1cscc1C(=O)N[C@@H]1[C@@H](C/C=C/CCCC(=O)O)C[C@H]2C[C@@H]1C2(C)C
    InChI
    InChI=1S/C22H31NO4S/c1-22(2)15-10-14(8-6-4-5-7-9-19(24)25)20(17(22)11-15)23-21(26)16-12-28-13-18(16)27-3/h4,6,12-15,17,20H,5,7-11H2,1-3H3,(H,23,26)(H,24,25)/b6-4+/t14-,15-,17-,20+/m0/s1
    MOLECULAR FORMULA
    C22H31NO4S
    CROSS REFERENCES
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    canSAR843805

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.20
    AlogP 4.74
    HBond donors 2
    HBond acceptors 5
    Atoms 59
    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 canSAR843805.