AgelasineD,Agelasnakamurai
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AgelasineD,Agelasnakamurai
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CAS No:
92664-80-7
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Formula:
C26H40N5
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Chemical Name:
AgelasineD,Agelasnakamurai
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Synonyms:
(+)-agelasine D;agelasine D;CHEMBL1186898;AGELASINE D, AGELAS NAKAMURAI;ZINC36426586
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CAS No:
Characteristics
60.6
212.2 Ų [M]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Computed Properties
Molecular Weight:422.6
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:422.32837130
Monoisotopic Mass:422.32837130
Topological Polar Surface Area:60.6
Heavy Atom Count:31
Formal Charge:1
Complexity:700
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes