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canSAR1999141
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@@H](OC(=O)N[SH](=O)(O)OC[C@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C24H34N4O18S/c1-9(29)25-16-20(43-12(4)32)19(42-11(3)31)14(7-40-10(2)30)45-22(16)46-24(37)27-47(38,39)41-8-13-17(34)18(35)21(44-13)28-6-5-15(33)26-23(28)36/h5-6,13-14,16-22,34-35,47H,7-8H2,1-4H3,(H,25,29)(H,26,33,36)(H2,27,37,38,39)/t13-,14-,16-,17-,18-,19-,20-,21?,22-/m1/s1
    MOLECULAR FORMULA
    C24H34N4O18S
    CROSS REFERENCES
    1999141 logo

    canSAR1999141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 698.16
    AlogP -4.13
    HBond donors 6
    HBond acceptors 22
    Atoms 81
    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 canSAR1999141.