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canSAR66090
FEATURES
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NAMES
    SMILES
    O=C(NCc1ccc(Cl)cc1)c1cnc2sc(CCCO)cc2c1O
    InChI
    InChI=1S/C18H17ClN2O3S/c19-12-5-3-11(4-6-12)9-20-17(24)15-10-21-18-14(16(15)23)8-13(25-18)2-1-7-22/h3-6,8,10,22H,1-2,7,9H2,(H,20,24)(H,21,23)
    MOLECULAR FORMULA
    C18H17ClN2O3S
    CROSS REFERENCES
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    canSAR66090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.06
    AlogP 3.51
    HBond donors 3
    HBond acceptors 5
    Atoms 42
    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 canSAR66090.