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    Clifutinib

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1862226-99-0, Orb3028365, Schembl17443358, Gtpl13919, Ex-a12416, Compound 27 [wo2016008433]
    Molecular Formula
    C29H34N4O4
    Molecular Weight
    502.6  g/mol
    InChI Key
    DWZXYPARIPYQKS-UHFFFAOYSA-N
    Clifutinib is an orally bioavailable, selective, small molecule inhibitor of FMS-like tyrosine kinase 3 (FLT3; CD135; STK1; FLK2), with potential antineoplastic activity. Upon oral administration, clifutinib targets, binds to and inhibits the activity of FLT3. This inhibits the proliferation of FLT3-expressing cancer cells. FLT3, a class III receptor tyrosine kinase (RTK), is overexpressed or mutated in most B-lineage neoplasms and in acute myeloid leukemias.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]urea
    2.1.2 InChI
    InChI=1S/C29H34N4O4/c1-29(2,3)26-21-27(32-37-26)31-28(34)30-24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)36-18-4-15-33-16-19-35-20-17-33/h7-14,21H,4,15-20H2,1-3H3,(H2,30,31,32,34)
    2.1.3 InChI Key
    DWZXYPARIPYQKS-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1862226-99-0

    2. Orb3028365

    3. Schembl17443358

    4. Gtpl13919

    5. Ex-a12416

    6. Compound 27 [wo2016008433]

    7. Compound 9e [pmid: 40213868]

    8. 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]urea

    2.3 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 502.6 g/mol
    Molecular Formula C29H34N4O4
    XLogP35
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area88.9
    Heavy Atom Count37
    Formal Charge0
    Complexity766
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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