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canSAR1992880
FEATURES
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NAMES
    SMILES
    C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1C(=O)OC[C@@]12O
    InChI
    InChI=1S/C22H25NO8/c1-20(11-30-18(25)13-4-6-14(7-5-13)23(28)29)8-3-9-21(2)17(20)16(24)10-15-19(26)31-12-22(15,21)27/h4-7,10,16-17,24,27H,3,8-9,11-12H2,1-2H3/t16-,17+,20-,21+,22-/m1/s1
    MOLECULAR FORMULA
    C22H25NO8
    CROSS REFERENCES
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    canSAR1992880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.16
    AlogP 2.15
    HBond donors 2
    HBond acceptors 9
    Atoms 56
    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 canSAR1992880.