canSAR543030
FEATURES
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NAMES
    SMILES
    O=C(O)/C=C\C(=O)O.O=C(c1ccc(OCCCc2c[nH]cn2)c([N+](=O)[O-])c1)C1CC1
    InChI
    InChI=1S/C16H17N3O4.C4H4O4/c20-16(11-3-4-11)12-5-6-15(14(8-12)19(21)22)23-7-1-2-13-9-17-10-18-13;5-3(6)1-2-4(7)8/h5-6,8-11H,1-4,7H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C20H21N3O8
    CROSS REFERENCES
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    canSAR543030
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight431.13
    AlogP2.63
    HBond donors3
    HBond acceptors11
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR543030.