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  • Oprea1_574793,ZINC01327108,ASN 05112581, 1-cyclopentyl-1-[(6-ethyl-2-o
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Oprea1_574793
    ZINC01327108
    ASN 05112581

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight407.480543 [g/mol]
    Molecular FormulaC24H26FN3O2
    XLogP4.2
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count5
    Tautomer Count4
    Exact Mass407.200905
    MonoIsotopic Mass407.200905
    Topological Polar Surface Area61.4
    Heavy Atom Count30
    Formal Charge0
    Complexity661
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-
    fluorophenyl)urea
    Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=O)NC4=CC=CC=C4F
    InChI: InChI=1/C24H26FN3O2/c1-2-16-11-12-21-17(13-16)14-18(23(29)26-21)15-28
    (19-7-3-4-8-19)24(30)27-22-10-6-5-9-20(22)25/h5-6,9-14,19H,2-4,7-8,15H2,
    1H3,(H,26,29)(H,27,30)/f/h26-27H

    ChemDrug版权识别码:108224540276178821
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