canSAR1599809
FEATURES
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NAMES
    SMILES
    C=CCNCCOc1ccc(C(C)(C)c2ccccc2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C20H25NO.C2H2O4/c1-4-14-21-15-16-22-19-12-10-18(11-13-19)20(2,3)17-8-6-5-7-9-17;3-1(4)2(5)6/h4-13,21H,1,14-16H2,2-3H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C22H27NO5
    CROSS REFERENCES
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    canSAR1599809
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight385.19
    AlogP3.32
    HBond donors3
    HBond acceptors6
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1599809.