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canSAR1430301
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NAMES
    SMILES
    O=C(O)Cn1c2c(c3cc(F)ccc31)C[C@@H](Nc1ncc(F)cn1)CC2
    InChI
    InChI=1S/C18H16F2N4O2/c19-10-1-3-15-13(5-10)14-6-12(23-18-21-7-11(20)8-22-18)2-4-16(14)24(15)9-17(25)26/h1,3,5,7-8,12H,2,4,6,9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1
    MOLECULAR FORMULA
    C18H16F2N4O2
    CROSS REFERENCES
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    canSAR1430301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.12
    AlogP 2.76
    HBond donors 2
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430301.