canSAR2096351
FEATURES
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NAMES
    SMILES
    Cc1ccccc1CNc1cc(-c2nccs2)nc(NCCC(=O)O)n1
    InChI
    InChI=1S/C18H19N5O2S/c1-12-4-2-3-5-13(12)11-21-15-10-14(17-19-8-9-26-17)22-18(23-15)20-7-6-16(24)25/h2-5,8-10H,6-7,11H2,1H3,(H,24,25)(H2,20,21,22,23)
    MOLECULAR FORMULA
    C18H19N5O2S
    CROSS REFERENCES
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    canSAR2096351
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight369.13
    AlogP3.41
    HBond donors3
    HBond acceptors7
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096351.