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canSAR347293
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NCCCN2C(=O)CC(SC[C@H](N)C(=O)O)C2=O)[C@H](O)[C@H](C)O1
    InChI
    InChI=1S/C37H43N3O15S/c1-15-30(44)19(39-7-4-8-40-24(43)10-22(35(40)49)56-14-18(38)36(50)51)9-25(54-15)55-21-12-37(52,23(42)13-41)11-17-27(21)34(48)29-28(32(17)46)31(45)16-5-3-6-20(53-2)26(16)33(29)47/h3,5-6,15,18-19,21-22,25,30,39,41,44,46,48,52H,4,7-14,38H2,1-2H3,(H,50,51)/t15-,18-,19-,21-,22?,25-,30+,37-/m0/s1
    MOLECULAR FORMULA
    C37H43N3O15S
    CROSS REFERENCES
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    canSAR347293

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 801.24
    AlogP -0.71
    HBond donors 9
    HBond acceptors 18
    Atoms 99
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR347293.