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canSAR1131138
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NAMES
    SMILES
    O=C(CCSc1ccccn1)Nc1cc(Cl)ccc1C1=NCCO1
    InChI
    InChI=1S/C17H16ClN3O2S/c18-12-4-5-13(17-20-8-9-23-17)14(11-12)21-15(22)6-10-24-16-3-1-2-7-19-16/h1-5,7,11H,6,8-10H2,(H,21,22)
    MOLECULAR FORMULA
    C17H16ClN3O2S
    CROSS REFERENCES
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    canSAR1131138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.07
    AlogP 3.63
    HBond donors 1
    HBond acceptors 5
    Atoms 40
    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 canSAR1131138.