18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid
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![18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3ebdaa6538d3407eb2cfa14fdbe0a2ed.png "18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid")
18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid
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CAS No:
713079-03-9
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Formula:
C28H20FN3O4
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Chemical Name:
18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid
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Synonyms:
CHEMBL154276;Ir(dpm)PQ2;FQA-TS;BDBM50123621;NSC713079;NSC-713079;NCI60_039435;Bis(2-phenylquinoline)(2,2,6,6-tetramethylheptane-3,5-dionate)iridium(III);6-[3-amino-(3S)-tetrahydro-1H-1-pyrrolyl]-5-fluoro-3-oxo-3H-naphtho[2,1-b]pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid;713079-03-9
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CAS No:
18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid Basic Attributes
481.5 g/mol
481.14378429 g/mol
713079
Computed Properties
Molecular Weight:481.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:481.14378429
Monoisotopic Mass:481.14378429
Topological Polar Surface Area:96.1
Heavy Atom Count:36
Complexity:959
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Latest News on 18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid
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