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canSAR112287
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NAMES
    SMILES
    NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1
    InChI
    InChI=1S/C37H40N6O6S2/c38-28(17-23-11-14-27(44)15-12-23)34(46)43-32-21-51-50-20-31(33(39)45)42-36(48)29(18-22-6-2-1-3-7-22)40-35(47)30(41-37(32)49)19-24-10-13-25-8-4-5-9-26(25)16-24/h1-16,28-32,44H,17-21,38H2,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,46)/t28-,29-,30-,31-,32+/m0/s1
    MOLECULAR FORMULA
    C37H40N6O6S2
    CROSS REFERENCES
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    canSAR112287

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 728.25
    AlogP 1.72
    HBond donors 9
    HBond acceptors 12
    Atoms 91
    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 canSAR112287.