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canSAR1202129
FEATURES
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NAMES
    SMILES
    O=C(CCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)NC12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C20H34N2O6/c23-13(22-20-7-10-4-11(8-20)6-12(5-10)9-20)2-1-3-21-14-15(24)17(26)19(28)18(27)16(14)25/h10-12,14-19,21,24-28H,1-9H2,(H,22,23)/t10?,11?,12?,14-,15-,16+,17+,18-,19-,20?
    MOLECULAR FORMULA
    C20H34N2O6
    CROSS REFERENCES
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    canSAR1202129

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.24
    AlogP -1.37
    HBond donors 7
    HBond acceptors 8
    Atoms 62
    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 canSAR1202129.