canSAR2220115
FEATURES
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NAMES
    SMILES
    CC(CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CCC(=O)N1CC#Cc1ccc(C(=O)O)s1
    InChI
    InChI=1S/C26H29NO4S/c1-19(7-5-10-20-8-3-2-4-9-20)23(28)15-12-21-13-17-25(29)27(21)18-6-11-22-14-16-24(32-22)26(30)31/h2-4,8-9,12,14-16,19,21,23,28H,5,7,10,13,17-18H2,1H3,(H,30,31)/b15-12+/t19?,21-,23+/m0/s1
    MOLECULAR FORMULA
    C26H29NO4S
    CROSS REFERENCES
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    canSAR2220115
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.18
    AlogP4.36
    HBond donors2
    HBond acceptors5
    Atoms61
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2220115.