canSAR1631878
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(C#Cc4ccncc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
    InChI
    InChI=1S/C29H33N3O6S2/c1-21-5-10-26(11-6-21)39(34,35)31(4)19-28-22(2)18-32(23(3)20-33)40(36,37)29-12-9-25(17-27(29)38-28)8-7-24-13-15-30-16-14-24/h5-6,9-17,22-23,28,33H,18-20H2,1-4H3/t22-,23-,28+/m0/s1
    MOLECULAR FORMULA
    C29H33N3O6S2
    CROSS REFERENCES
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    canSAR1631878
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight583.18
    AlogP2.88
    HBond donors1
    HBond acceptors9
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631878.