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canSAR829660
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NAMES
    SMILES
    CCc1nc(/C=C/[C@H]2[C@@H]3CCCCC3=C[C@H]3C(=O)O[C@H](C)[C@@H]23)ccc1-c1ccccc1
    InChI
    InChI=1S/C28H31NO2/c1-3-26-23(19-9-5-4-6-10-19)15-13-21(29-26)14-16-24-22-12-8-7-11-20(22)17-25-27(24)18(2)31-28(25)30/h4-6,9-10,13-18,22,24-25,27H,3,7-8,11-12H2,1-2H3/b16-14+/t18-,22-,24+,25-,27+/m1/s1
    MOLECULAR FORMULA
    C28H31NO2
    CROSS REFERENCES
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    canSAR829660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.24
    AlogP 6.25
    HBond donors 0
    HBond acceptors 3
    Atoms 62
    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 canSAR829660.