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canSAR2088029
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NAMES
    SMILES
    COc1cc2[nH]c3c(c2cc1OC)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C
    InChI
    InChI=1S/C21H27N3O4/c1-10(2)6-15-19-13(7-16-20(25)22-11(3)21(26)24(15)16)12-8-17(27-4)18(28-5)9-14(12)23-19/h8-11,15-16,23H,6-7H2,1-5H3,(H,22,25)/t11-,15-,16+/m0/s1
    MOLECULAR FORMULA
    C21H27N3O4
    CROSS REFERENCES
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    canSAR2088029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.20
    AlogP 2.54
    HBond donors 2
    HBond acceptors 7
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2088029.