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canSAR651068
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NAMES
    SMILES
    NC1(Cc2cccc(OC(F)(F)F)c2)CCN(c2ncnc3[nH]ccc23)CC1
    InChI
    InChI=1S/C19H20F3N5O/c20-19(21,22)28-14-3-1-2-13(10-14)11-18(23)5-8-27(9-6-18)17-15-4-7-24-16(15)25-12-26-17/h1-4,7,10,12H,5-6,8-9,11,23H2,(H,24,25,26)
    MOLECULAR FORMULA
    C19H20F3N5O
    CROSS REFERENCES
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    canSAR651068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.16
    AlogP 3.40
    HBond donors 3
    HBond acceptors 6
    Atoms 48
    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 canSAR651068.