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canSAR1087456
FEATURES
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NAMES
    SMILES
    CC(C)SC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1
    InChI
    InChI=1S/C31H49NO5S/c1-19(2)38-31(36)26-12-9-11-25(26)28-13-8-7-10-24(18-32)30(35)23(6)16-21(4)14-20(3)15-22(5)27(33)17-29(34)37-28/h7-8,10,19-23,25-28,30,33,35H,9,11-17H2,1-6H3/b8-7+,24-10-/t20-,21+,22-,23-,25+,26+,27-,28-,30+/m0/s1
    MOLECULAR FORMULA
    C31H49NO5S
    CROSS REFERENCES
    1087456 logo

    canSAR1087456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.33
    AlogP 6.22
    HBond donors 2
    HBond acceptors 6
    Atoms 87
    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 canSAR1087456.