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canSAR660428
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)O.O=C(NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3)C(=O)NC1CCNCC1
    InChI
    InChI=1S/C24H37N3O5.CH4O3S/c28-21(22(29)27-20-3-7-25-8-4-20)26-14-15-1-5-23(6-2-15)30-24(32-31-23)18-10-16-9-17(12-18)13-19(24)11-16;1-5(2,3)4/h15-20,25H,1-14H2,(H,26,28)(H,27,29);1H3,(H,2,3,4)/t15-,16?,17?,18?,19?,23+,24-;
    MOLECULAR FORMULA
    C25H41N3O8S
    CROSS REFERENCES
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    canSAR660428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.26
    AlogP 1.49
    HBond donors 4
    HBond acceptors 11
    Atoms 78
    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 canSAR660428.