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canSAR1203711
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NAMES
    SMILES
    O=C(OC(Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
    InChI
    InChI=1S/C22H22FN5O4/c23-18-3-1-17(2-4-18)21(15-25-10-9-24-16-25)32-22(29)27-13-11-26(12-14-27)19-5-7-20(8-6-19)28(30)31/h1-10,16,21H,11-15H2
    MOLECULAR FORMULA
    C22H22FN5O4
    CROSS REFERENCES
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    canSAR1203711

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.17
    AlogP 3.63
    HBond donors 0
    HBond acceptors 9
    Atoms 54
    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 canSAR1203711.