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canSAR837101
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NAMES
    SMILES
    COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C30H43N3O4S/c1-31(38(35,36)29-15-7-4-8-16-29)24-27(26-13-5-3-6-14-26)17-20-32-21-18-28(19-22-32)33(30(34)37-2)23-25-11-9-10-12-25/h3-8,13-16,25,27-28H,9-12,17-24H2,1-2H3/t27-/m1/s1
    MOLECULAR FORMULA
    C30H43N3O4S
    CROSS REFERENCES
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    canSAR837101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.30
    AlogP 5.20
    HBond donors 0
    HBond acceptors 7
    Atoms 81
    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 canSAR837101.