canSAR1417149
FEATURES
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NAMES
    SMILES
    CNCCCOc1ccc2c(c1)CCC2.O=C(O)C(=O)O
    InChI
    InChI=1S/C13H19NO.C2H2O4/c1-14-8-3-9-15-13-7-6-11-4-2-5-12(11)10-13;3-1(4)2(5)6/h6-7,10,14H,2-5,8-9H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C15H21NO5
    CROSS REFERENCES
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    canSAR1417149
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight295.14
    AlogP1.32
    HBond donors3
    HBond acceptors6
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417149.