canSAR1775140
FEATURES
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NAMES
    SMILES
    C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2(C)CC2)c1
    InChI
    InChI=1S/C21H29N3O6S/c1-16(17-5-3-6-18(13-17)30-14-21(2)8-9-21)23-31(27,28)12-4-11-29-15-24-10-7-19(25)22-20(24)26/h3,5-7,10,13,16,23H,4,8-9,11-12,14-15H2,1-2H3,(H,22,25,26)/t16-/m1/s1
    MOLECULAR FORMULA
    C21H29N3O6S
    CROSS REFERENCES
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    canSAR1775140
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.18
    AlogP1.76
    HBond donors2
    HBond acceptors9
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1775140.