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canSAR1724086
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1cc(C(N)=O)c(=O)[nH]c1C3
    InChI
    InChI=1S/C22H25N3O4/c1-25-6-5-21-11-17-13(7-15(19(23)26)20(27)24-17)10-22(21,28)18(25)8-12-3-4-14(29-2)9-16(12)21/h3-4,7,9,18,28H,5-6,8,10-11H2,1-2H3,(H2,23,26)(H,24,27)/t18?,21-,22-/m1/s1
    MOLECULAR FORMULA
    C22H25N3O4
    CROSS REFERENCES
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    canSAR1724086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.18
    AlogP 0.51
    HBond donors 4
    HBond acceptors 7
    Atoms 54
    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 canSAR1724086.