canSAR1386585
FEATURES
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NAMES
    SMILES
    C=Cc1ccc2cc(OC)cc(NC(C)CCCN)c2n1.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C17H23N3O.C4H4O4/c1-4-14-8-7-13-10-15(21-3)11-16(17(13)20-14)19-12(2)6-5-9-18;5-3(6)1-2-4(7)8/h4,7-8,10-12,19H,1,5-6,9,18H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C21H27N3O5
    CROSS REFERENCES
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    canSAR1386585
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight401.20
    AlogP3.14
    HBond donors5
    HBond acceptors8
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1386585.