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canSAR839934
FEATURES
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NAMES
    SMILES
    Cn1c([N+](=O)[O-])cnc1C(O)c1cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)ccc1O
    InChI
    InChI=1S/C21H25N3O4/c1-23-18(24(27)28)10-22-21(23)20(26)16-9-13(2-3-17(16)25)19-14-5-11-4-12(7-14)8-15(19)6-11/h2-3,9-12,14-15,19-20,25-26H,4-8H2,1H3/t11-,12+,14-,15?,19?,20?
    MOLECULAR FORMULA
    C21H25N3O4
    CROSS REFERENCES
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    canSAR839934

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.18
    AlogP 3.66
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    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 canSAR839934.