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canSAR98579
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NAMES
    SMILES
    CC1(C)SCCO[C@]1(Cn1cncn1)c1ccc(F)cc1F
    InChI
    InChI=1S/C15H17F2N3OS/c1-14(2)15(21-5-6-22-14,8-20-10-18-9-19-20)12-4-3-11(16)7-13(12)17/h3-4,7,9-10H,5-6,8H2,1-2H3/t15-/m1/s1
    MOLECULAR FORMULA
    C15H17F2N3OS
    CROSS REFERENCES
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    canSAR98579

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.11
    AlogP 2.99
    HBond donors 0
    HBond acceptors 4
    Atoms 39
    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 canSAR98579.