1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
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![1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/11a453f8ca754689ab9d91acbbf28aca.png "1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate")
1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
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CAS No:
241127-58-2
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Formula:
C24H27NO4
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Chemical Name:
1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
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Synonyms:
adaphostin;NSC 680410;NSC-680410;1-Adamantyl 4-((2,5-dihydroxybenzyl)amino)benzoate;MLS002702320;NSC680410;1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate;Benzoic acid,4-[[(2,5-dihydroxyphenyl)methyl]amino]-, tricyclo[3.3.1.13,7]dec-1-yl ester
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CAS No:
1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate Basic Attributes
393.483
393.194
680410
DTXSID50327719
1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate Use and Manufacturing
Novel antitumor agent that induces apoptosis in tumor cells through inhibition of the tyrosine kinase BCR/ABL.
Computed Properties
Molecular Weight:393.5
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:393.19400834
Monoisotopic Mass:393.19400834
Topological Polar Surface Area:78.8
Heavy Atom Count:29
Complexity:558
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
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