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canSAR546328
FEATURES
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NAMES
    SMILES
    CC(=O)O.CCN(CCc1ccccc1F)C(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1
    InChI
    InChI=1S/C27H38FN7O4.C2H4O2/c1-2-35(15-13-19-6-3-4-7-21(19)28)24(37)17-33-26(39)23(8-5-14-32-27(30)31)34-25(38)22(29)16-18-9-11-20(36)12-10-18;1-2(3)4/h3-4,6-7,9-12,22-23,36H,2,5,8,13-17,29H2,1H3,(H,33,39)(H,34,38)(H4,30,31,32);1H3,(H,3,4)/t22-,23+;/m0./s1
    MOLECULAR FORMULA
    C29H42FN7O6
    CROSS REFERENCES
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    canSAR546328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.32
    AlogP 0.24
    HBond donors 10
    HBond acceptors 13
    Atoms 85
    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 canSAR546328.