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canSAR1968122
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NAMES
    SMILES
    NC(=O)c1nc2c(s1)[C@H](O)COc1ccc(C#CC3(O)CCCC3)cc1-2
    InChI
    InChI=1S/C19H18N2O4S/c20-17(23)18-21-15-12-9-11(5-8-19(24)6-1-2-7-19)3-4-14(12)25-10-13(22)16(15)26-18/h3-4,9,13,22,24H,1-2,6-7,10H2,(H2,20,23)/t13-/m1/s1
    MOLECULAR FORMULA
    C19H18N2O4S
    CROSS REFERENCES
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    canSAR1968122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.10
    AlogP 1.99
    HBond donors 4
    HBond acceptors 6
    Atoms 44
    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 canSAR1968122.