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canSAR503914
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCNS(=O)(=O)c1cccc2c(N=[N+]=[N-])cccc12
    InChI
    InChI=1S/C28H34N6O6S/c1-18(2)16-24(32-27(36)26(35)22(29)17-19-8-4-3-5-9-19)28(37)40-15-14-31-41(38,39)25-13-7-10-20-21(25)11-6-12-23(20)33-34-30/h3-13,18,22,24,26,31,35H,14-17,29H2,1-2H3,(H,32,36)/t22-,24+,26+/m1/s1
    MOLECULAR FORMULA
    C28H34N6O6S
    CROSS REFERENCES
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    canSAR503914

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.23
    AlogP 3.06
    HBond donors 5
    HBond acceptors 12
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR503914.