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canSAR498825
FEATURES
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NAMES
    SMILES
    COc1ccc(Br)cc1[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C)C1CC1
    InChI
    InChI=1S/C29H35BrN2O6S/c1-17(2)27(32-28(36)26(19-9-10-19)21-13-20(30)11-12-24(21)38-3)29(37)31-22(14-25(34)35)23(33)16-39-15-18-7-5-4-6-8-18/h4-8,11-13,17,19,22,26-27H,9-10,14-16H2,1-3H3,(H,31,37)(H,32,36)(H,34,35)/t22-,26+,27-/m0/s1
    MOLECULAR FORMULA
    C29H35BrN2O6S
    CROSS REFERENCES
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    canSAR498825

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.14
    AlogP 4.55
    HBond donors 3
    HBond acceptors 8
    Atoms 74
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR498825.