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canSAR1511623
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C20H26N2O6S.C2H2O4/c1-26-16-4-6-17(7-5-16)29(24,25)22-10-8-21(9-11-22)14-15-12-18(27-2)20(23)19(13-15)28-3;3-1(4)2(5)6/h4-7,12-13,23H,8-11,14H2,1-3H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C22H28N2O10S
    CROSS REFERENCES
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    canSAR1511623

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.15
    AlogP 1.08
    HBond donors 3
    HBond acceptors 12
    Atoms 63
    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 canSAR1511623.