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canSAR500757
FEATURES
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NAMES
    SMILES
    CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C1CCCC1
    InChI
    InChI=1S/C34H53N3O6S/c1-34(2,3)36-32(39)28-20-25-15-9-10-16-26(25)21-37(28)22-29(38)27(19-23-11-5-4-6-12-23)35-33(40)43-30-17-18-44(41,42)31(30)24-13-7-8-14-24/h4-6,11-12,24-31,38H,7-10,13-22H2,1-3H3,(H,35,40)(H,36,39)/t25-,26+,27-,28-,29+,30+,31+/m0/s1
    MOLECULAR FORMULA
    C34H53N3O6S
    CROSS REFERENCES
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    canSAR500757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.37
    AlogP 4.23
    HBond donors 3
    HBond acceptors 9
    Atoms 97
    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 canSAR500757.