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canSAR842117
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC4OC[C@@]35CCC(=O)C=C45)[C@@H]1CC[C@@H]2C(=O)CO
    InChI
    InChI=1S/C21H28O4/c1-20-6-5-15-13(14(20)2-3-16(20)18(24)10-22)9-19-17-8-12(23)4-7-21(15,17)11-25-19/h8,13-16,19,22H,2-7,9-11H2,1H3/t13-,14-,15-,16+,19?,20-,21-/m0/s1
    MOLECULAR FORMULA
    C21H28O4
    CROSS REFERENCES
    842117 logo

    canSAR842117

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.20
    AlogP 2.68
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR842117.