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canSAR559976
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NCc1cccc(F)c1O)C(C)C)C(=O)O
    InChI
    InChI=1S/C26H34FN3O5S/c1-16(2)22(28-15-18-10-7-11-19(27)23(18)31)25(33)30-21(14-17-8-5-4-6-9-17)24(32)29-20(26(34)35)12-13-36-3/h4-11,16,20-22,28,31H,12-15H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)/t20-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C26H34FN3O5S
    CROSS REFERENCES
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    canSAR559976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.22
    AlogP 2.70
    HBond donors 5
    HBond acceptors 8
    Atoms 70
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR559976.