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canSAR394808
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NAMES
    SMILES
    CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CS)C(=O)NO
    InChI
    InChI=1S/C18H27N3O4S/c1-11(2)8-13(14(10-26)18(24)21-25)17(23)20-15(16(19)22)9-12-6-4-3-5-7-12/h3-7,11,13-15,25-26H,8-10H2,1-2H3,(H2,19,22)(H,20,23)(H,21,24)/t13-,14+,15+/m1/s1
    MOLECULAR FORMULA
    C18H27N3O4S
    CROSS REFERENCES
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    canSAR394808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.17
    AlogP 0.91
    HBond donors 5
    HBond acceptors 7
    Atoms 53
    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 canSAR394808.