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canSAR2206683
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NAMES
    SMILES
    CC1(C)C[C@H](Nc2nc(Nc3ccc(OCC4(CO)COC4)c(-n4cnnn4)c3)ncc2F)C[C@@H]2CCCN21
    InChI
    InChI=1S/C26H34FN9O3/c1-25(2)10-18(8-19-4-3-7-35(19)25)30-23-20(27)11-28-24(32-23)31-17-5-6-22(21(9-17)36-16-29-33-34-36)39-15-26(12-37)13-38-14-26/h5-6,9,11,16,18-19,37H,3-4,7-8,10,12-15H2,1-2H3,(H2,28,30,31,32)/t18-,19+/m1/s1
    MOLECULAR FORMULA
    C26H34FN9O3
    CROSS REFERENCES
    2206683 logo

    canSAR2206683

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.28
    AlogP 2.54
    HBond donors 3
    HBond acceptors 12
    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 canSAR2206683.