canSAR2080154
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2cccs2)s1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1
    InChI
    InChI=1S/C36H44N8O5S2/c37-19-5-4-10-26(34(47)44-31(32(38)45)24-13-15-25(16-14-24)49-22-23-8-2-1-3-9-23)42-33(46)27(11-6-20-41-36(39)40)43-35(48)30-18-17-29(51-30)28-12-7-21-50-28/h1-3,7-9,12-18,21,26-27,31H,4-6,10-11,19-20,22,37H2,(H2,38,45)(H,42,46)(H,43,48)(H,44,47)(H4,39,40,41)/t26-,27-,31+/m0/s1
    MOLECULAR FORMULA
    C36H44N8O5S2
    CROSS REFERENCES
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    canSAR2080154
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight732.29
    AlogP3.37
    HBond donors11
    HBond acceptors13
    Atoms95
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080154.