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canSAR755654
FEATURES
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NAMES
    SMILES
    COCC/C(SC(=O)N1CCCC1=O)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)N1CCCC1=O
    InChI
    InChI=1S/C36H58N4O8S2/c1-29(31(19-25-47-3)49-35(45)39-23-15-17-33(39)43)37(27-41)21-13-11-9-7-5-6-8-10-12-14-22-38(28-42)30(2)32(20-26-48-4)50-36(46)40-24-16-18-34(40)44/h27-28H,5-26H2,1-4H3/b31-29-,32-30-
    MOLECULAR FORMULA
    C36H58N4O8S2
    CROSS REFERENCES
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    canSAR755654

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.37
    AlogP 7.29
    HBond donors 0
    HBond acceptors 12
    Atoms 108
    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 canSAR755654.