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    Technical details about NXP800, learn more about the structure, uses, toxicity, action, side effects and more

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    NXP800

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    2D Structure
    1. Also known as: Npx800, 1693734-80-3, Npx809, Nxp800, Schembl16621389, Nxp-800
    Molecular Formula
    C32H32FN5O4
    Molecular Weight
    569.6  g/mol
    InChI Key
    UBALMDIKIGDHJW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-2-[(4-ethylpiperazin-1-yl)methyl]quinoline-6-carboxamide
    2.1.2 InChI
    InChI=1S/C32H32FN5O4/c1-2-37-11-13-38(14-12-37)20-25-6-3-21-17-22(4-9-27(21)34-25)32(40)36-28-19-24(7-8-26(28)33)35-31(39)23-5-10-29-30(18-23)42-16-15-41-29/h3-10,17-19H,2,11-16,20H2,1H3,(H,35,39)(H,36,40)
    2.1.3 InChI Key
    UBALMDIKIGDHJW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN1CCN(CC1)CC2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCCO6)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Npx800

    2. 1693734-80-3

    3. Npx809

    4. Nxp800

    5. Schembl16621389

    6. Nxp-800

    7. Ex-a6036

    8. Cct361814

    9. Nsc840362

    10. Nsc-840362

    11. Hy-145927

    12. Cs-0435291

    2.3 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 569.6 g/mol
    Molecular Formula C32H32FN5O4
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass569.24383268 g/mol
    Monoisotopic Mass569.24383268 g/mol
    Topological Polar Surface Area96 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity919
    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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