5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)
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5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)
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CAS No:
957104-91-5
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Formula:
C26H31FN7O6P.C4H4O4
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Chemical Name:
5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)
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Synonyms:
5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1);104E915;(Z)-but-2-enedioic acid;2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate
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CAS No:
5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1) Basic Attributes
703.62
703.21700
Computed Properties
Molecular Weight:703.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:17
Exact Mass:703.21670550
Monoisotopic Mass:703.21670550
Topological Polar Surface Area:249
Heavy Atom Count:49
Complexity:978
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)
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