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    RP 001

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Rp-001, Rp001, Schembl1878411, Chembl3960697, Gtpl10309, Ex-a3540
    Molecular Formula
    C24H24N4O4
    Molecular Weight
    432.5  g/mol
    InChI Key
    WNDDDFYFTSGSEC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid
    2.1.2 InChI
    InChI=1S/C24H24N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30)
    2.1.3 InChI Key
    WNDDDFYFTSGSEC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCC(=O)O)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Rp-001

    2. Rp001

    3. Schembl1878411

    4. Chembl3960697

    5. Gtpl10309

    6. Ex-a3540

    7. Rp 001

    8. Ncgc00371010-02

    9. Hy-101939

    10. Cs-0022196

    11. 3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1h-inden-1-yl]amino]propanoic Acid

    2.3 Create Date
    2011-03-11
    3 Chemical and Physical Properties
    Molecular Weight 432.5 g/mol
    Molecular Formula C24H24N4O4
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area121
    Heavy Atom Count32
    Formal Charge0
    Complexity695
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1