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canSAR1129327
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
    InChI
    InChI=1S/C37H50FN9O6/c1-21(2)17-29(34(51)44-28(32(40)49)11-6-16-43-37(41)42)46-36(53)31(19-24-9-5-8-23-7-3-4-10-26(23)24)47-35(52)30(45-33(50)27(39)20-48)18-22-12-14-25(38)15-13-22/h3-5,7-10,12-15,21,27-31,48H,6,11,16-20,39H2,1-2H3,(H2,40,49)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,41,42,43)/t27-,28-,29-,30+,31+/m0/s1
    MOLECULAR FORMULA
    C37H50FN9O6
    CROSS REFERENCES
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    canSAR1129327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 735.39
    AlogP -0.39
    HBond donors 13
    HBond acceptors 15
    Atoms 103
    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 canSAR1129327.