canSAR1829718
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O
    InChI
    InChI=1S/C30H37N3O6S/c1-21-17-33(22(2)20-34)30(35)26-11-8-12-27(31-40(4,36)37)29(26)39-28(21)19-32(3)18-23-13-15-25(16-14-23)38-24-9-6-5-7-10-24/h5-16,21-22,28,31,34H,17-20H2,1-4H3/t21-,22+,28+/m1/s1
    MOLECULAR FORMULA
    C30H37N3O6S
    CROSS REFERENCES
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    canSAR1829718
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight567.24
    AlogP4.20
    HBond donors2
    HBond acceptors9
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829718.