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canSAR1688182
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(=O)O)CC(=O)O)cc1.[Zn]
    InChI
    InChI=1S/C30H43N7O12S2.Zn/c31-50(46,47)24-5-1-22(2-6-24)9-11-33-26(38)17-36(20-29(42)43)15-13-35(19-28(40)41)14-16-37(21-30(44)45)18-27(39)34-12-10-23-3-7-25(8-4-23)51(32,48)49;/h1-8H,9-21H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,31,46,47)(H2,32,48,49);
    MOLECULAR FORMULA
    C30H43N7O12S2Zn
    CROSS REFERENCES
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    canSAR1688182

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 821.17
    AlogP -2.84
    HBond donors 9
    HBond acceptors 19
    Atoms 95
    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 canSAR1688182.