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canSAR1517018
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1.O.O=C(O)C(=O)O
    InChI
    InChI=1S/C22H32N2O3S2.C2H2O4.H2O/c1-22(2,3)19-7-9-21(10-8-19)29(25,26)24(18-20-6-4-17-28-20)12-5-11-23-13-15-27-16-14-23;3-1(4)2(5)6;/h4,6-10,17H,5,11-16,18H2,1-3H3;(H,3,4)(H,5,6);1H2
    MOLECULAR FORMULA
    C24H36N2O8S2
    CROSS REFERENCES
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    canSAR1517018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.19
    AlogP 2.29
    HBond donors 4
    HBond acceptors 10
    Atoms 72
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1517018.