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canSAR649493
FEATURES
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NAMES
    SMILES
    O=C(O)CCC(=O)NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
    InChI
    InChI=1S/C21H31NO6/c23-18(1-2-19(24)25)22-12-13-3-5-20(6-4-13)26-21(28-27-20)16-8-14-7-15(10-16)11-17(21)9-14/h13-17H,1-12H2,(H,22,23)(H,24,25)/t13-,14?,15?,16?,17?,20+,21-
    MOLECULAR FORMULA
    C21H31NO6
    CROSS REFERENCES
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    canSAR649493

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.22
    AlogP 2.98
    HBond donors 2
    HBond acceptors 7
    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 canSAR649493.