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canSAR35234
FEATURES
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NAMES
    SMILES
    COc1ccc(CCNCC(O)COc2ccc(-c3nccs3)cc2)cc1OC
    InChI
    InChI=1S/C22H26N2O4S/c1-26-20-8-3-16(13-21(20)27-2)9-10-23-14-18(25)15-28-19-6-4-17(5-7-19)22-24-11-12-29-22/h3-8,11-13,18,23,25H,9-10,14-15H2,1-2H3
    MOLECULAR FORMULA
    C22H26N2O4S
    CROSS REFERENCES
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    canSAR35234

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.16
    AlogP 3.40
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR35234.