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canSAR498123
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NAMES
    SMILES
    CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1C(C)C1CCC1
    InChI
    InChI=1S/C21H23F3N4O/c1-4-16-26-18-14(15-8-9-17(29-3)27-19(15)21(22,23)24)10-11-25-20(18)28(16)12(2)13-6-5-7-13/h8-13H,4-7H2,1-3H3
    MOLECULAR FORMULA
    C21H23F3N4O
    CROSS REFERENCES
    498123 logo

    canSAR498123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.18
    AlogP 5.44
    HBond donors 0
    HBond acceptors 5
    Atoms 52
    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 canSAR498123.