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canSAR152602
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H]([C@@H](O[C@H]2OC(C(=O)NCCN)=C[C@H](O)[C@@H]2O)C(N)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O
    InChI
    InChI=1S/C19H27N5O11/c1-32-12-11(28)17(24-5-2-9(26)23-19(24)31)34-13(12)14(15(21)29)35-18-10(27)7(25)6-8(33-18)16(30)22-4-3-20/h2,5-7,10-14,17-18,25,27-28H,3-4,20H2,1H3,(H2,21,29)(H,22,30)(H,23,26,31)/t7-,10-,11+,12-,13-,14+,17+,18+/m0/s1
    MOLECULAR FORMULA
    C19H27N5O11
    CROSS REFERENCES
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    canSAR152602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.17
    AlogP -5.28
    HBond donors 9
    HBond acceptors 16
    Atoms 62
    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 canSAR152602.