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canSAR2085727
FEATURES
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NAMES
    SMILES
    CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(C(=O)NC(C)C)CC2.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H36N4O2.C2HF3O2/c1-6-24-18(25)16-12-22(11-14(2)3)13-17(16)20(24)7-9-23(10-8-20)19(26)21-15(4)5;3-2(4,5)1(6)7/h14-17H,6-13H2,1-5H3,(H,21,26);(H,6,7)/t16-,17+;/m0./s1
    MOLECULAR FORMULA
    C22H37F3N4O4
    CROSS REFERENCES
    2085727 logo

    canSAR2085727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.28
    AlogP 2.64
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR2085727.