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canSAR2088781
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.c1ccc(NC[C@@H]2CCC[C@@H]3CN(Cc4cc[nH]n4)C[C@@H]32)nc1
    InChI
    InChI=1S/C18H25N5.C2HF3O2/c1-2-8-19-18(6-1)20-10-14-4-3-5-15-11-23(13-17(14)15)12-16-7-9-21-22-16;3-2(4,5)1(6)7/h1-2,6-9,14-15,17H,3-5,10-13H2,(H,19,20)(H,21,22);(H,6,7)/t14-,15+,17+;/m0./s1
    MOLECULAR FORMULA
    C20H26F3N5O2
    CROSS REFERENCES
    2088781 logo

    canSAR2088781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.20
    AlogP 3.40
    HBond donors 3
    HBond acceptors 7
    Atoms 56
    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 canSAR2088781.