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canSAR462567
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NAMES
    SMILES
    O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1cccc(C(F)(F)F)c1
    InChI
    InChI=1S/C26H26F3N3O/c27-26(28,29)24-9-3-8-23(16-24)25(33)31-17-19-4-1-6-21(14-19)22-7-2-5-20(15-22)18-32-12-10-30-11-13-32/h1-9,14-16,30H,10-13,17-18H2,(H,31,33)
    MOLECULAR FORMULA
    C26H26F3N3O
    CROSS REFERENCES
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    canSAR462567

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.20
    AlogP 4.71
    HBond donors 2
    HBond acceptors 4
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR462567.