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canSAR558314
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NAMES
    SMILES
    N=C(N)c1ccc(CNC(=O)CCN2C(=O)[C@H](NCC(=O)O)CSc3ccccc32)cc1
    InChI
    InChI=1S/C22H25N5O4S/c23-21(24)15-7-5-14(6-8-15)11-26-19(28)9-10-27-17-3-1-2-4-18(17)32-13-16(22(27)31)25-12-20(29)30/h1-8,16,25H,9-13H2,(H3,23,24)(H,26,28)(H,29,30)/t16-/m1/s1
    MOLECULAR FORMULA
    C22H25N5O4S
    CROSS REFERENCES
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    canSAR558314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.16
    AlogP 1.16
    HBond donors 6
    HBond acceptors 9
    Atoms 57
    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 canSAR558314.