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canSAR2205367
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NAMES
    SMILES
    N#Cc1c(-c2ccccc2)nc(SCc2cccc(C(=O)O)c2)[nH]c1=O
    InChI
    InChI=1S/C19H13N3O3S/c20-10-15-16(13-6-2-1-3-7-13)21-19(22-17(15)23)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)(H,21,22,23)
    MOLECULAR FORMULA
    C19H13N3O3S
    CROSS REFERENCES
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    canSAR2205367

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.07
    AlogP 3.30
    HBond donors 2
    HBond acceptors 6
    Atoms 39
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2205367.