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canSAR2204491
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NAMES
    SMILES
    C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(OC4CCCCC4)ccn3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
    InChI
    InChI=1S/C31H33F3N6O3/c1-18(20-6-5-7-20)36-26-25-27(38-28(37-26)30(41)42)39-29(40(25)17-19-10-12-21(13-11-19)31(32,33)34)24-16-23(14-15-35-24)43-22-8-3-2-4-9-22/h10-16,18,20,22H,2-9,17H2,1H3,(H,41,42)(H,36,37,38)/t18-/m1/s1
    MOLECULAR FORMULA
    C31H33F3N6O3
    CROSS REFERENCES
    2204491 logo

    canSAR2204491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.26
    AlogP 6.97
    HBond donors 2
    HBond acceptors 9
    Atoms 76
    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 canSAR2204491.