canSAR2095633
FEATURES
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NAMES
    SMILES
    CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1.O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c2no[n+]([O-])c2c1O
    InChI
    InChI=1S/C19H22F2N4O3.C6HClN4O7/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28;7-1-3(9(13)14)2-5(11(17)18-8-2)6(12)4(1)10(15)16/h7-10,23H,3-6,22H2,1-2H3,(H,27,28);12H
    MOLECULAR FORMULA
    C25H23ClF2N8O10
    CROSS REFERENCES
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    canSAR2095633
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight668.12
    AlogP2.72
    HBond donors5
    HBond acceptors18
    Atoms69
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095633.