canSAR1846969
FEATURES
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NAMES
    SMILES
    Cc1ccc(C2CC(N3CCN(CCN4CCN(C(C)C)C4=O)CC3)c3ccc(Cl)cc32)cc1.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C28H37ClN4O.C4H4O4/c1-20(2)33-17-16-32(28(33)34)15-12-30-10-13-31(14-11-30)27-19-25(22-6-4-21(3)5-7-22)26-18-23(29)8-9-24(26)27;5-3(6)1-2-4(7)8/h4-9,18,20,25,27H,10-17,19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C32H41ClN4O5
    CROSS REFERENCES
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    canSAR1846969
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight596.28
    AlogP4.70
    HBond donors2
    HBond acceptors9
    Atoms83
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846969.