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canSAR465499
FEATURES
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NAMES
    SMILES
    Cc1cc(SC2=C(O)OC(CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)CC(C)(C)C
    InChI
    InChI=1S/C33H45NO5S/c1-20(2)33(15-14-22-10-12-23(35)13-11-22)18-26(36)29(30(38)39-33)40-27-16-21(3)25(17-24(27)32(7,8)9)34-28(37)19-31(4,5)6/h10-13,16-17,20,35,38H,14-15,18-19H2,1-9H3,(H,34,37)
    MOLECULAR FORMULA
    C33H45NO5S
    CROSS REFERENCES
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    canSAR465499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.30
    AlogP 8.21
    HBond donors 3
    HBond acceptors 6
    Atoms 85
    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 canSAR465499.