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canSAR1012611
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NAMES
    SMILES
    CN1CCN(c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ncn2)CC1
    InChI
    InChI=1S/C18H20F3N5O/c1-25-5-7-26(8-6-25)16-10-15(23-12-24-16)17(27)22-11-13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,27)
    MOLECULAR FORMULA
    C18H20F3N5O
    CROSS REFERENCES
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    canSAR1012611

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.16
    AlogP 2.18
    HBond donors 1
    HBond acceptors 6
    Atoms 47
    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 canSAR1012611.