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canSAR1089588
FEATURES
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NAMES
    SMILES
    Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O
    InChI
    InChI=1S/C25H22FN3O4S2/c1-14(2)21(24(31)32)28-22(30)20(35-25(28)34)13-19-15(3)27-29(17-7-5-4-6-8-17)23(19)33-18-11-9-16(26)10-12-18/h4-14,21H,1-3H3,(H,31,32)/b20-13-/t21-/m0/s1
    MOLECULAR FORMULA
    C25H22FN3O4S2
    CROSS REFERENCES
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    canSAR1089588

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.10
    AlogP 5.42
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089588.