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canSAR1975998
FEATURES
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NAMES
    SMILES
    Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](C)CO3)no1
    InChI
    InChI=1S/C20H18N4O4S/c1-10-9-27-14-5-4-12(6-7-20(3,26)19-22-11(2)28-24-19)8-13(14)15-16(10)29-18(23-15)17(21)25/h4-5,8,10,26H,9H2,1-3H3,(H2,21,25)/t10-,20-/m1/s1
    MOLECULAR FORMULA
    C20H18N4O4S
    CROSS REFERENCES
    1975998 logo

    canSAR1975998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.10
    AlogP 2.36
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1975998.