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canSAR840947
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NAMES
    SMILES
    O=S(=O)(c1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
    InChI
    InChI=1S/C25H30N2O2S/c28-30(29,23-6-2-1-3-7-23)27-18-22-12-13-24(25(22)19-27)21-10-8-20(9-11-21)14-17-26-15-4-5-16-26/h1-3,6-11,13,22,25H,4-5,12,14-19H2/t22-,25+/m0/s1
    MOLECULAR FORMULA
    C25H30N2O2S
    CROSS REFERENCES
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    canSAR840947

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.20
    AlogP 4.05
    HBond donors 0
    HBond acceptors 4
    Atoms 60
    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 canSAR840947.