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canSAR1268647
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NAMES
    SMILES
    O=C(O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1
    InChI
    InChI=1S/C13H13N3O2S/c17-11(18)7-19-13-14-12(15-16-13)10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,17,18)(H,14,15,16)
    MOLECULAR FORMULA
    C13H13N3O2S
    CROSS REFERENCES
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    canSAR1268647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 275.07
    AlogP 2.14
    HBond donors 2
    HBond acceptors 5
    Atoms 32
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1268647.