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canSAR352335
FEATURES
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NAMES
    SMILES
    CC1CCC(C[C@@H](C(=O)N[C@@H](CCC/N=C(/N)N[N+](=O)[O-])C(=O)Nc2nccs2)[C@H](C(C)C)N(O)C=O)CC1
    InChI
    InChI=1S/C24H40N8O6S/c1-15(2)20(31(36)14-33)18(13-17-8-6-16(3)7-9-17)21(34)28-19(22(35)29-24-27-11-12-39-24)5-4-10-26-23(25)30-32(37)38/h11-12,14-20,36H,4-10,13H2,1-3H3,(H,28,34)(H3,25,26,30)(H,27,29,35)/t16?,17?,18-,19+,20+/m1/s1
    MOLECULAR FORMULA
    C24H40N8O6S
    CROSS REFERENCES
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    canSAR352335

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.28
    AlogP 2.15
    HBond donors 6
    HBond acceptors 14
    Atoms 79
    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 canSAR352335.