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canSAR841229
FEATURES
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NAMES
    SMILES
    C=C[C@@]1(C)CC(=O)[C@]2(O)C3(C)[C@@H](O)CCC(C)(C)[C@@H]3C(O)C(OC=O)[C@@]2(C)O1
    InChI
    InChI=1S/C21H32O7/c1-7-18(4)10-13(24)21(26)19(5)12(23)8-9-17(2,3)15(19)14(25)16(27-11-22)20(21,6)28-18/h7,11-12,14-16,23,25-26H,1,8-10H2,2-6H3/t12-,14?,15-,16?,18-,19?,20+,21-/m0/s1
    MOLECULAR FORMULA
    C21H32O7
    CROSS REFERENCES
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    canSAR841229

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.21
    AlogP 1.13
    HBond donors 3
    HBond acceptors 7
    Atoms 60
    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 canSAR841229.