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canSAR1717496
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@]1(C)C(=O)C[C@@H]1[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)CC[C@@]1(C)O
    InChI
    InChI=1S/C20H34O5/c1-12-19(6,25-12)15(22)11-13-17(4,23)9-10-20(24)16(2,3)8-7-14(21)18(13,20)5/h12-14,21,23-24H,7-11H2,1-6H3/t12-,13-,14-,17+,18-,19+,20+/m0/s1
    MOLECULAR FORMULA
    C20H34O5
    CROSS REFERENCES
    1717496 logo

    canSAR1717496

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.24
    AlogP 2.20
    HBond donors 3
    HBond acceptors 5
    Atoms 59
    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 canSAR1717496.