canSAR2059629
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
    InChI
    InChI=1S/C37H43F3N8O5S/c38-37(39,40)25-14-10-22(11-15-25)21-53-26-16-12-23(13-17-26)31(32(42)49)48-34(51)27(7-3-4-18-41)46-33(50)28(8-5-19-45-36(43)44)47-35(52)30-20-24-6-1-2-9-29(24)54-30/h1-2,6,9-17,20,27-28,31H,3-5,7-8,18-19,21,41H2,(H2,42,49)(H,46,50)(H,47,52)(H,48,51)(H4,43,44,45)/t27-,28-,31+/m0/s1
    MOLECULAR FORMULA
    C37H43F3N8O5S
    CROSS REFERENCES
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    canSAR2059629
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight768.30
    AlogP3.82
    HBond donors11
    HBond acceptors13
    Atoms97
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059629.