canSAR1503227
FEATURES
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NAMES
    SMILES
    O=C(CCc1ccccc1)N[C@@H]1c2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)C[C@H]1OCc1ccccc1
    InChI
    InChI=1S/C33H30N2O4S/c36-31(21-20-24-12-4-1-5-13-24)34-33-30(39-23-25-14-6-2-7-15-25)22-29-32(33)27-18-10-11-19-28(27)35(29)40(37,38)26-16-8-3-9-17-26/h1-19,30,33H,20-23H2,(H,34,36)/t30-,33+/m1/s1
    MOLECULAR FORMULA
    C33H30N2O4S
    CROSS REFERENCES
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    canSAR1503227
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight550.19
    AlogP5.81
    HBond donors1
    HBond acceptors6
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503227.