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canSAR1407144
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
    InChI
    InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1
    MOLECULAR FORMULA
    C31H44N4O5S2
    CROSS REFERENCES
    1407144 logo

    canSAR1407144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.28
    AlogP 4.97
    HBond donors 2
    HBond acceptors 9
    Atoms 86
    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 canSAR1407144.