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canSAR1204717
FEATURES
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NAMES
    SMILES
    CSCC[C@H](N)CSSCC(Cc1ccsc1)C(=O)N[C@@H](C)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C22H36N2O8S4/c1-12(21(29)31-8-16-17(25)18(26)19(27)22(30)32-16)24-20(28)14(7-13-3-6-34-9-13)10-35-36-11-15(23)4-5-33-2/h3,6,9,12,14-19,22,25-27,30H,4-5,7-8,10-11,23H2,1-2H3,(H,24,28)/t12-,14?,15-,16+,17+,18-,19+,22+/m0/s1
    MOLECULAR FORMULA
    C22H36N2O8S4
    CROSS REFERENCES
    1204717 logo

    canSAR1204717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.14
    AlogP 0.22
    HBond donors 7
    HBond acceptors 10
    Atoms 72
    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 canSAR1204717.