canSAR418750
FEATURES
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NAMES
    SMILES
    CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2ccccc2NC(=O)CBr)c1
    InChI
    InChI=1S/C21H25BrN6O3/c1-21(2)27-19(23)26-20(24)28(21)14-6-5-7-15(12-14)30-10-11-31-17-9-4-3-8-16(17)25-18(29)13-22/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)(H4,23,24,26,27)
    MOLECULAR FORMULA
    C21H25BrN6O3
    CROSS REFERENCES
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    canSAR418750
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight488.12
    AlogP2.66
    HBond donors5
    HBond acceptors9
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR418750.