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canSAR1023547
FEATURES
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NAMES
    SMILES
    CC/C=C\C[C@H]1C(=O)C(Cl)=C[C@H]1CC(=O)OC1CCCCC1
    InChI
    InChI=1S/C18H25ClO3/c1-2-3-5-10-15-13(11-16(19)18(15)21)12-17(20)22-14-8-6-4-7-9-14/h3,5,11,13-15H,2,4,6-10,12H2,1H3/b5-3-/t13-,15+/m0/s1
    MOLECULAR FORMULA
    C18H25ClO3
    CROSS REFERENCES
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    canSAR1023547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.15
    AlogP 4.55
    HBond donors 0
    HBond acceptors 3
    Atoms 47
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1023547.