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canSAR565014
FEATURES
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NAMES
    SMILES
    CC(C)(CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)Nc1ccc(C#N)c2ccccc12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C30H41N3O.C2HF3O2/c1-30(2,20-23-13-7-4-8-14-23)33-29(34)28(19-22-11-5-3-6-12-22)32-27-18-17-24(21-31)25-15-9-10-16-26(25)27;3-2(4,5)1(6)7/h9-10,15-18,22-23,28,32H,3-8,11-14,19-20H2,1-2H3,(H,33,34);(H,6,7)
    MOLECULAR FORMULA
    C32H42F3N3O3
    CROSS REFERENCES
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    canSAR565014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.32
    AlogP 7.96
    HBond donors 3
    HBond acceptors 6
    Atoms 83
    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 canSAR565014.