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canSAR840923
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@]12CCC(C(N)=O)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O
    InChI
    InChI=1S/C22H27NO7/c1-13(18(26)27)5-4-9-20(3)16-8-11-21(19(28)30-20)10-6-15(17(23)25)7-12-22(16,21)29-14(2)24/h4-6,9,16H,7-8,10-12H2,1-3H3,(H2,23,25)(H,26,27)/b9-4+,13-5+/t16-,20+,21+,22-/m0/s1
    MOLECULAR FORMULA
    C22H27NO7
    CROSS REFERENCES
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    canSAR840923

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.18
    AlogP 2.18
    HBond donors 3
    HBond acceptors 8
    Atoms 57
    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 canSAR840923.