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canSAR1402395
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NAMES
    SMILES
    O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2
    InChI
    InChI=1S/C22H18F4N6O/c23-12-2-4-14(20-27-6-1-7-28-20)15(8-12)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
    MOLECULAR FORMULA
    C22H18F4N6O
    CROSS REFERENCES
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    canSAR1402395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.15
    AlogP 3.95
    HBond donors 1
    HBond acceptors 7
    Atoms 51
    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 canSAR1402395.