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canSAR1988549
FEATURES
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NAMES
    SMILES
    CCc1nc(N2[C@H](CO)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2C#N)sc1C
    InChI
    InChI=1S/C23H22FN3OS/c1-3-19-14(2)29-23(26-19)27-20(12-25)22(21(27)13-28)18-7-5-4-6-17(18)15-8-10-16(24)11-9-15/h4-11,20-22,28H,3,13H2,1-2H3/t20-,21+,22-/m0/s1
    MOLECULAR FORMULA
    C23H22FN3OS
    CROSS REFERENCES
    1988549 logo

    canSAR1988549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.15
    AlogP 4.68
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    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 canSAR1988549.