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canSAR790850
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC2CC(C#N)(C4)C3)C1
    InChI
    InChI=1S/C21H31N3O4/c1-20(2,3)28-18(25)23-16-4-5-24(11-16)19(26)27-17-14-6-13-7-15(17)10-21(8-13,9-14)12-22/h13-17H,4-11H2,1-3H3,(H,23,25)/t13?,14?,15?,16-,17-,21-/m1/s1
    MOLECULAR FORMULA
    C21H31N3O4
    CROSS REFERENCES
    790850 logo

    canSAR790850

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.23
    AlogP 3.44
    HBond donors 1
    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 canSAR790850.