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canSAR159133
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NAMES
    SMILES
    O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
    InChI
    InChI=1S/C26H30N4O3S/c31-26(28-23-11-15-29(16-12-23)19-20-5-3-13-27-18-20)25-8-4-14-30(25)34(32,33)24-10-9-21-6-1-2-7-22(21)17-24/h1-3,5-7,9-10,13,17-18,23,25H,4,8,11-12,14-16,19H2,(H,28,31)/t25-/m0/s1
    MOLECULAR FORMULA
    C26H30N4O3S
    CROSS REFERENCES
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    canSAR159133

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.20
    AlogP 3.17
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    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 canSAR159133.