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canSAR1408761
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NAMES
    SMILES
    C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/c3cc(C)c(o3)[C@@H]1OC)OC2=O
    InChI
    InChI=1S/C21H26O4/c1-12(2)18-7-6-15-11-17(25-21(15)22)9-13(3)8-16-10-14(4)19(24-16)20(18)23-5/h8,10-11,17-18,20H,1,6-7,9H2,2-5H3/b13-8+/t17-,18-,20+/m0/s1
    MOLECULAR FORMULA
    C21H26O4
    CROSS REFERENCES
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    canSAR1408761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.18
    AlogP 4.91
    HBond donors 0
    HBond acceptors 4
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1408761.