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canSAR1146296
FEATURES
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NAMES
    SMILES
    CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)SCCOCCS)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
    InChI
    InChI=1S/C22H42N2O6S3/c1-5-6-14-11-15(24(3)12-14)21(28)23-16(13(2)33-10-8-29-7-9-31)20-18(26)17(25)19(27)22(30-20)32-4/h13-20,22,25-27,31H,5-12H2,1-4H3,(H,23,28)/t13-,14-,15+,16+,17+,18-,19-,20-,22-/m1/s1
    MOLECULAR FORMULA
    C22H42N2O6S3
    CROSS REFERENCES
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    canSAR1146296

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.22
    AlogP 0.83
    HBond donors 4
    HBond acceptors 8
    Atoms 75
    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 canSAR1146296.