General Information of the Compound
| Compound ID |
CP0041261
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| Compound Name |
2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one
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| Synonyms |
Aprovel
138402-11-6
2-Butyl-3-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-1,3-diazaspiro(44)non-1-en-4-one
2-Butyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]1,3-diaza-spiro[44]non-1-en-4-one
2-butyl-3-[ p-(o-1 H-tetrazol-5-ylphenyl)benzyl]-1,3-diazaspiro[4,4]non-1-en-4-one
2-butyl-3-[p-(o-1H-tetrazol-5-ylphenyl)benzyl]-1,3-diazaspiro[44]non-1-en-4-one
2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[44]non-1-en-4-one
2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[44]non-1-en-4-one
2-n-butyl-3-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1,3-diazaspiro(4,4)non-1-en-4-one
3-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-1,3-diazaspiro[44]non-1-en-4-one
8-butyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7,9-diazaspiro[44]non-8-en-6-one
AK-57149
Aprovel
Aprovel (TN)
Avalide (TN)
Avapro
Avapro (TN)
BMS 186295
BMS Brand of Irbesartan
BMS-186295
BMS-186295, SR-47436,Aprovel, Karvea, Irbesartan
Bristol Myers Brand of Irbesartan
C25H28N6O
CHEBI:5959
CHEMBL1513
DSSTox_CID_3169
Irbesarran
Irbesartan
Irbesartan (JAN/USAN/INN)
Irbesartan [USAN:INN]
Irbetan
J0E2756Z7N
Karvea
Karvea (TN)
Lrbesartan
NCGC00095122-01
SR 47436
SR-47436
SanofiWinthrop Brand of Irbesartan
UNII-J0E2756Z7N
YOSHYTLCDANDAN-UHFFFAOYSA-N
[3H]irbesartan
irbesartan
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| Structure |
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| Formula |
C25H28N6O
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| Molecular Weight |
428.54
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| Canonical SMILES |
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
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| InChIKey |
YOSHYTLCDANDAN-UHFFFAOYSA-N
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| CAS |
138402-11-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03222, ATP-binding cassette sub-family C member 3
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Protein ID: PT05756, Leukotriene B4 receptor 2
Protein ID: PT01197, Type-1 angiotensin II receptor
Clinical Information about the Compound
Drug 1 ( Irbesartan )
| Drug Name | Irbesartan | ||
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| Company | Bristol-Myers Squibb | ||
| Indication | |||
| Target(s) |
Angiotensin II receptor type-1 (AGTR1)
Antagonist
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