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(Q105338406)
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English
1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
chemical compound
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
quinoline alkaloid
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pyrimidine
0 references
piperazine alkaloid
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mass
475.14673878
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₀F₃N₅O₄
0 references
canonical SMILES
O=C(O)C1=CN(C2=C(OC(F)F)C(=C(F)C=C2C1=O)N3CCN(C4=NC=CC=N4)CC3)C5CC5
0 references
found in taxon
Micromonospora halophytica
1 reference
stated in
K-13, a novel inhibitor of angiotensin I converting enzyme produced by Micromonospora halophytica subsp. exilisia. II. Structure determination
Identifiers
InChI
InChI=1S/C22H20F3N5O4/c23-15-10-13-16(30(12-2-3-12)11-14(18(13)31)20(32)33)19(34-21(24)25)17(15)28-6-8-29(9-7-28)22-26-4-1-5-27-22/h1,4-5,10-12,21H,2-3,6-9H2,(H,32,33)
0 references
InChIKey
XPIOXYHBJMSKMA-UHFFFAOYSA-N
0 references
PubChem CID
469669
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
108101
1 reference
stated in
UniChem
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