canSAR1417725
FEATURES
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NAMES
    SMILES
    Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(F)cc1
    InChI
    InChI=1S/C19H19BrFN5O3/c20-14-3-6-16(28-11-12-1-4-15(21)5-2-12)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)
    MOLECULAR FORMULA
    C19H19BrFN5O3
    CROSS REFERENCES
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    canSAR1417725
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight463.07
    AlogP2.65
    HBond donors4
    HBond acceptors8
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417725.