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canSAR1521925
FEATURES
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NAMES
    SMILES
    C[C@H]1CC2(N=CCS2)[C@]2(O)O[C@@H]3C[C@@]4(C)C(CC3O[C@@H]2O1)C[C@H]1O[C@@]12C4[C@@H](O)C(=O)[C@]1(C)[C@H](C3=CC(=O)OC3)CC[C@]21O
    InChI
    InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16?,17-,18?,19+,20+,22+,23?,25-,26-,27-,28+,29?,30+,31+/m0/s1
    MOLECULAR FORMULA
    C31H39NO10S
    CROSS REFERENCES
    1521925 logo

    canSAR1521925

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 617.23
    AlogP 1.26
    HBond donors 3
    HBond acceptors 11
    Atoms 82
    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 canSAR1521925.