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canSAR1431977
FEATURES
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NAMES
    SMILES
    O=C([O-])C(F)(F)F.[NH3+]C[C@H]1O[C@@H](O[C@H](c2cn(CCCOc3ccc(C(=O)c4ccccc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C32H36N6O11.C2HF3O2/c33-15-21-24(41)27(44)31(47-21)49-28(29-25(42)26(43)30(48-29)38-13-11-22(39)34-32(38)45)20-16-37(36-35-20)12-4-14-46-19-9-7-18(8-10-19)23(40)17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-3,5-11,13,16,21,24-31,41-44H,4,12,14-15,33H2,(H,34,39,45);(H,6,7)/t21-,24-,25+,26-,27-,28-,29+,30-,31+;/m1./s1
    MOLECULAR FORMULA
    C34H37F3N6O13
    CROSS REFERENCES
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    canSAR1431977

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 794.24
    AlogP -2.81
    HBond donors 8
    HBond acceptors 19
    Atoms 93
    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 canSAR1431977.