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canSAR789584
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NAMES
    SMILES
    Cc1nc(O)c2cc(N(C)Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2n1
    InChI
    InChI=1S/C21H22N4O6S/c1-11-22-15-5-3-12(9-14(15)19(28)23-11)25(2)10-13-4-7-17(32-13)20(29)24-16(21(30)31)6-8-18(26)27/h3-5,7,9,16H,6,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t16-/m0/s1
    MOLECULAR FORMULA
    C21H22N4O6S
    CROSS REFERENCES
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    canSAR789584

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.13
    AlogP 2.39
    HBond donors 4
    HBond acceptors 10
    Atoms 54
    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 canSAR789584.