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canSAR1768310
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(C#CC4CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
    InChI
    InChI=1S/C29H38N2O7S2/c1-21-18-31(22(2)20-32)40(35,36)29-16-11-24(10-9-23-7-5-6-8-23)17-27(29)38-28(21)19-30(3)39(33,34)26-14-12-25(37-4)13-15-26/h11-17,21-23,28,32H,5-8,18-20H2,1-4H3/t21-,22-,28+/m0/s1
    MOLECULAR FORMULA
    C29H38N2O7S2
    CROSS REFERENCES
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    canSAR1768310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.21
    AlogP 3.33
    HBond donors 1
    HBond acceptors 9
    Atoms 78
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768310.