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canSAR1446583
FEATURES
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NAMES
    SMILES
    O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
    InChI
    InChI=1S/C22H22FN3O2S.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
    MOLECULAR FORMULA
    C26H28FN3O8S
    CROSS REFERENCES
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    canSAR1446583

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.16
    AlogP 1.67
    HBond donors 5
    HBond acceptors 11
    Atoms 67
    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 canSAR1446583.