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canSAR1765593
FEATURES
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NAMES
    SMILES
    COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)N4CC[C@H](OC)C4)cc3)cc2s1
    InChI
    InChI=1S/C26H32N4O8S3/c1-37-12-14-40(33,34)23(24(31)28-10-13-41(27,35)36)25-29-21-8-7-19(15-22(21)39-25)17-3-5-18(6-4-17)26(32)30-11-9-20(16-30)38-2/h3-8,15,20,23H,9-14,16H2,1-2H3,(H,28,31)(H2,27,35,36)/t20-,23?/m0/s1
    MOLECULAR FORMULA
    C26H32N4O8S3
    CROSS REFERENCES
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    canSAR1765593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.14
    AlogP 1.33
    HBond donors 3
    HBond acceptors 12
    Atoms 73
    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 canSAR1765593.