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canSAR1089289
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NAMES
    SMILES
    C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(CF)n1
    InChI
    InChI=1S/C22H20FN5OS/c1-12-8-16(12)21(29)25-22-19(18-5-3-4-15(10-23)24-18)20(27-30-22)13-6-7-17-14(9-13)11-28(2)26-17/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,25,29)/t12-,16-/m1/s1
    MOLECULAR FORMULA
    C22H20FN5OS
    CROSS REFERENCES
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    canSAR1089289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.14
    AlogP 4.82
    HBond donors 1
    HBond acceptors 6
    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 canSAR1089289.