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canSAR1131015
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NAMES
    SMILES
    O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)C3CCC(O)CC3)CC2)C1
    InChI
    InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-7-3-17(4-8-19)27-21(32)29-14-11-22(15-29)9-12-28(13-10-22)20(31)16-1-5-18(30)6-2-16/h3-4,7-8,16,18,30H,1-2,5-6,9-15H2,(H,27,32)
    MOLECULAR FORMULA
    C23H30F3N3O4
    CROSS REFERENCES
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    canSAR1131015

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.22
    AlogP 3.98
    HBond donors 2
    HBond acceptors 7
    Atoms 63
    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 canSAR1131015.