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5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine; methane
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ChemBase ID:
172438
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Molecular Formular:
C25H33FN6
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Molecular Mass:
436.5681232
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Monoisotopic Mass:
436.27507331
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SMILES and InChIs
SMILES:
c1c(nc2c(c1)nc(n2CC(C)(C)C)N)c1c(c2ccc(cc2)F)nc([nH]1)C(C)(C)C.C
Canonical SMILES:
Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C.C
InChI:
InChI=1S/C24H29FN6.CH4/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);1H4
InChIKey:
SOJFSSBXXVSPAZ-UHFFFAOYSA-N
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Cite this record
CBID:172438 http://www.chembase.cn/molecule-172438.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine; methane
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IUPAC Traditional name
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5-[2-tert-butyl-5-(4-fluorophenyl)-3H-imidazol-4-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine; methane
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Synonyms
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5-[2-(1,1-Dimethylethyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine Dimethanesulfonate
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LY 2228820
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.914022
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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5.849527
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LogD (pH = 7.4)
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6.040672
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Log P
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6.0435834
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Molar Refractivity
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120.6971 cm3
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Polarizability
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49.03102 Å3
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Polar Surface Area
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85.41 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
L486500
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LY2228820 is a novel and potent p38MAPK inhibitor with potent antiinflammatory activity. LY2228820 significantly inhibited phosphorylation of MAPKAPK2 and/or HSP27, down stream targets of p38MAPK, in both multiple myeloma (MM) cell lines and LT-BMSCs. LY2 |
PATENTS
PATENTS
PubChem Patent
Google Patent