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canSAR1149539
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NAMES
    SMILES
    O=C(O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(S(=O)(=O)C3CCC3)c2)nc1
    InChI
    InChI=1S/C22H28N4O5S/c27-21(25-19-10-9-16(12-23-19)22(28)29)18(11-15-5-2-1-3-6-15)26-13-20(24-14-26)32(30,31)17-7-4-8-17/h9-10,12-15,17-18H,1-8,11H2,(H,28,29)(H,23,25,27)/t18-/m0/s1
    MOLECULAR FORMULA
    C22H28N4O5S
    CROSS REFERENCES
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    canSAR1149539

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.18
    AlogP 3.45
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    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 canSAR1149539.