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canSAR1085854
FEATURES
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NAMES
    SMILES
    CC(C)(C)/[N+]([O-])=C/c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)CO)cc1.O=C(CCCCC1CCSS1)NCC(=O)NC(CO)(CO)CO
    InChI
    InChI=1S/C24H38N2O12.C14H26N2O5S2/c1-24(2,3)26(36)9-13-6-4-12(5-7-13)8-25-22(35)19(33)18(32)21(14(29)10-27)38-23-20(34)17(31)16(30)15(11-28)37-23;17-8-14(9-18,10-19)16-13(21)7-15-12(20)4-2-1-3-11-5-6-22-23-11/h4-7,9,14-21,23,27-34H,8,10-11H2,1-3H3,(H,25,35);11,17-19H,1-10H2,(H,15,20)(H,16,21)/b26-9-;/t14-,15+,16+,17+,18-,19-,20+,21?,23+;/m1./s1
    MOLECULAR FORMULA
    C38H64N4O17S2
    CROSS REFERENCES
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    canSAR1085854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 912.37
    AlogP -4.06
    HBond donors 14
    HBond acceptors 21
    Atoms 125
    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 canSAR1085854.