canSAR947716
FEATURES
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NAMES
    SMILES
    Cc1nc(C(=O)[C@@H](C)Oc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)O
    InChI
    InChI=1S/C28H33NO4S2/c1-20-25(13-9-14-26(30)31)35-28(29-20)27(32)21(2)33-23-15-17-24(18-16-23)34-19-8-4-7-12-22-10-5-3-6-11-22/h3,5-6,10-11,15-18,21H,4,7-9,12-14,19H2,1-2H3,(H,30,31)/t21-/m1/s1
    MOLECULAR FORMULA
    C28H33NO4S2
    CROSS REFERENCES
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    canSAR947716
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight511.19
    AlogP7.01
    HBond donors1
    HBond acceptors5
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR947716.