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canSAR112588
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NAMES
    SMILES
    O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
    InChI
    InChI=1S/C28H32F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,19,26,33-34,37H,2,12-13,15-18,20H2/t26-/m0/s1
    MOLECULAR FORMULA
    C28H32F3N5O4S
    CROSS REFERENCES
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    canSAR112588

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.21
    AlogP 4.33
    HBond donors 3
    HBond acceptors 9
    Atoms 73
    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 canSAR112588.