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canSAR558101
FEATURES
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NAMES
    SMILES
    CCN(CCc1ccc(F)cc1)C(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1
    InChI
    InChI=1S/C27H38FN7O4/c1-2-35(15-13-18-5-9-20(28)10-6-18)24(37)17-33-26(39)23(4-3-14-32-27(30)31)34-25(38)22(29)16-19-7-11-21(36)12-8-19/h5-12,22-23,36H,2-4,13-17,29H2,1H3,(H,33,39)(H,34,38)(H4,30,31,32)/t22-,23+/m0/s1
    MOLECULAR FORMULA
    C27H38FN7O4
    CROSS REFERENCES
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    canSAR558101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.30
    AlogP 0.15
    HBond donors 9
    HBond acceptors 11
    Atoms 77
    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 canSAR558101.