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canSAR342880
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NAMES
    SMILES
    CC(C)c1ccccc1SC1=C(O)OC(CCC(=O)N2CCNCC2)(c2ccccc2)CC1=O
    InChI
    InChI=1S/C27H32N2O4S/c1-19(2)21-10-6-7-11-23(21)34-25-22(30)18-27(33-26(25)32,20-8-4-3-5-9-20)13-12-24(31)29-16-14-28-15-17-29/h3-11,19,28,32H,12-18H2,1-2H3
    MOLECULAR FORMULA
    C27H32N2O4S
    CROSS REFERENCES
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    canSAR342880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.21
    AlogP 4.73
    HBond donors 2
    HBond acceptors 6
    Atoms 66
    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 canSAR342880.