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canSAR2051076
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H](Sc2ccc(NC(=O)c3ccc4ccc(C)nc4c3O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C31H32N2O11S/c1-15-6-7-20-8-13-23(26(38)25(20)32-15)30(39)33-21-9-11-22(12-10-21)45-31-29(43-19(5)37)28(42-18(4)36)27(41-17(3)35)24(44-31)14-40-16(2)34/h6-13,24,27-29,31,38H,14H2,1-5H3,(H,33,39)/t24-,27-,28+,29-,31+/m1/s1
    MOLECULAR FORMULA
    C31H32N2O11S
    CROSS REFERENCES
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    canSAR2051076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 640.17
    AlogP 3.68
    HBond donors 2
    HBond acceptors 13
    Atoms 77
    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 canSAR2051076.