canSAR53961
FEATURES
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NAMES
    SMILES
    N=C(NCC(O)CO)c1c(O)nsc1Nc1ccc(Nc2ccc(Br)cc2)cc1
    InChI
    InChI=1S/C19H20BrN5O3S/c20-11-1-3-12(4-2-11)23-13-5-7-14(8-6-13)24-19-16(18(28)25-29-19)17(21)22-9-15(27)10-26/h1-8,15,23-24,26-27H,9-10H2,(H2,21,22)(H,25,28)
    MOLECULAR FORMULA
    C19H20BrN5O3S
    CROSS REFERENCES
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    canSAR53961
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight477.05
    AlogP3.37
    HBond donors7
    HBond acceptors8
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR53961.