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canSAR1616659
FEATURES
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NAMES
    SMILES
    C/C=C/c1ccc(OCCOCCNCc2ccccc2)c(OC)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C21H27NO3.C2H2O4/c1-3-7-18-10-11-20(21(16-18)23-2)25-15-14-24-13-12-22-17-19-8-5-4-6-9-19;3-1(4)2(5)6/h3-11,16,22H,12-15,17H2,1-2H3;(H,3,4)(H,5,6)/b7-3+;
    MOLECULAR FORMULA
    C23H29NO7
    CROSS REFERENCES
    1616659 logo

    canSAR1616659

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.19
    AlogP 3.07
    HBond donors 3
    HBond acceptors 8
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1616659.