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canSAR93431
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(NC(=O)[C@H](SC(=O)C(C)(C)C)C(C)C)CCCC1
    InChI
    InChI=1S/C27H40N2O6S/c1-7-35-23(32)20(16-18-10-12-19(30)13-11-18)28-24(33)27(14-8-9-15-27)29-22(31)21(17(2)3)36-25(34)26(4,5)6/h10-13,17,20-21,30H,7-9,14-16H2,1-6H3,(H,28,33)(H,29,31)/t20-,21+/m0/s1
    MOLECULAR FORMULA
    C27H40N2O6S
    CROSS REFERENCES
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    canSAR93431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.26
    AlogP 3.74
    HBond donors 3
    HBond acceptors 8
    Atoms 76
    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 canSAR93431.