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canSAR915395
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1
    InChI
    InChI=1S/C35H50N4O6S/c1-22(2)17-28(40)32(41)26(18-23-9-5-3-6-10-23)37-33(42)27(19-25-20-46-21-36-25)38-34(43)30-29(24-11-7-4-8-12-24)31(30)35(44)39-13-15-45-16-14-39/h4,7-8,11-12,20-23,26-32,40-41H,3,5-6,9-10,13-19H2,1-2H3,(H,37,42)(H,38,43)/t26-,27-,28-,29-,30+,31+,32+/m0/s1
    MOLECULAR FORMULA
    C35H50N4O6S
    CROSS REFERENCES
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    canSAR915395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.35
    AlogP 3.28
    HBond donors 4
    HBond acceptors 10
    Atoms 96
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR915395.