Purvalanol B
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Purvalanol B
structure -
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CAS No:
212844-54-7
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Formula:
C20H25ClN6O3
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Chemical Name:
Purvalanol B
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Synonyms:
Benzoic acid,2-chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]-;2-Chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzoic acid;Purvalanol B;NG 95
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CAS No:
Computed Properties
Molecular Weight:432.9
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:432.1676664
Monoisotopic Mass:432.1676664
Topological Polar Surface Area:125
Heavy Atom Count:30
Complexity:583
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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