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canSAR115328
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NAMES
    SMILES
    COc1cc2c(cc1OC)CN(CCCN1C(=O)CSC1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2
    InChI
    InChI=1S/C31H44N2O4S/c1-30(2,3)23-14-21(15-24(28(23)35)31(4,5)6)29-33(27(34)19-38-29)12-9-11-32-13-10-20-16-25(36-7)26(37-8)17-22(20)18-32/h14-17,29,35H,9-13,18-19H2,1-8H3
    MOLECULAR FORMULA
    C31H44N2O4S
    CROSS REFERENCES
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    canSAR115328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.30
    AlogP 6.03
    HBond donors 1
    HBond acceptors 6
    Atoms 82
    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 canSAR115328.