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canSAR1986809
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NAMES
    SMILES
    CCc1cnc(N2[C@H](C#N)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2CO)s1
    InChI
    InChI=1S/C24H20FN3OS/c1-2-19-14-27-24(30-19)28-21(13-26)23(22(28)15-29)18-11-8-16(9-12-18)7-10-17-5-3-4-6-20(17)25/h3-6,8-9,11-12,14,21-23,29H,2,15H2,1H3/t21-,22-,23+/m1/s1
    MOLECULAR FORMULA
    C24H20FN3OS
    CROSS REFERENCES
    1986809 logo

    canSAR1986809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.13
    AlogP 4.10
    HBond donors 1
    HBond acceptors 4
    Atoms 50
    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 canSAR1986809.