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canSAR784541
FEATURES
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NAMES
    SMILES
    C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](O)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O
    InChI
    InChI=1S/C20H28O5/c1-9-10-7-11(21)14-19-6-4-5-18(2,3)12(19)8-13(25-17(19)24)20(14,15(9)22)16(10)23/h10-14,16-17,21,23-24H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,16+,17-,19-,20+/m0/s1
    MOLECULAR FORMULA
    C20H28O5
    CROSS REFERENCES
    784541 logo

    canSAR784541

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 348.19
    AlogP 1.40
    HBond donors 3
    HBond acceptors 5
    Atoms 53
    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 canSAR784541.