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canSAR845187
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NAMES
    SMILES
    COc1ccc2cc(-c3cn([C@@H]4C(=O)N5[C@@H](C(=O)O)C(C)S[C@H]45)nn3)ccc2c1
    InChI
    InChI=1S/C20H18N4O4S/c1-10-16(20(26)27)24-18(25)17(19(24)29-10)23-9-15(21-22-23)13-4-3-12-8-14(28-2)6-5-11(12)7-13/h3-10,16-17,19H,1-2H3,(H,26,27)/t10?,16-,17-,19-/m1/s1
    MOLECULAR FORMULA
    C20H18N4O4S
    CROSS REFERENCES
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    canSAR845187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.10
    AlogP 2.40
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR845187.