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canSAR788976
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NAMES
    SMILES
    COc1cc2c(cc1NC(N)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
    InChI
    InChI=1S/C20H26N2O3/c1-20-8-7-12-13(15(20)5-6-18(20)23)4-3-11-9-16(22-19(21)24)17(25-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H3,21,22,24)/t12-,13+,15-,20-/m0/s1
    MOLECULAR FORMULA
    C20H26N2O3
    CROSS REFERENCES
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    canSAR788976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.19
    AlogP 3.61
    HBond donors 3
    HBond acceptors 5
    Atoms 51
    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 canSAR788976.