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canSAR1141584
FEATURES
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NAMES
    SMILES
    C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1
    InChI
    InChI=1S/C28H43NO5S/c1-16-9-11-17(2)19(4)26(32)20(5)27(33)28(7,8)24(30)14-25(31)34-23(12-10-16)18(3)13-22-15-35-21(6)29-22/h10,13,15,17,19-20,23-24,26,30,32H,9,11-12,14H2,1-8H3/b16-10-,18-13+/t17-,19+,20-,23+,24+,26+/m1/s1
    MOLECULAR FORMULA
    C28H43NO5S
    CROSS REFERENCES
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    canSAR1141584

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.29
    AlogP 5.51
    HBond donors 2
    HBond acceptors 6
    Atoms 78
    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 canSAR1141584.