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canSAR2088216
FEATURES
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NAMES
    SMILES
    CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.[K+]
    InChI
    InChI=1S/C17H19F2N3O3.K/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);/q;+1/p-1
    MOLECULAR FORMULA
    C17H18F2KN3O3
    CROSS REFERENCES
    2088216 logo

    canSAR2088216

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.10
    AlogP -2.53
    HBond donors 1
    HBond acceptors 6
    Atoms 44
    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 canSAR2088216.