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4-amino-5-chloro-2-(2H5)ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide
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ChemBase ID:
174834
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Molecular Formular:
C21H25ClFN3O3
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Molecular Mass:
421.8929032
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Monoisotopic Mass:
421.15684758
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SMILES and InChIs
SMILES:
c1c(ccc(c1)CN1CC(OCC1)CNC(=O)c1cc(c(cc1OCC)N)Cl)F
Canonical SMILES:
CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl
InChI:
InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey:
YPELFRMCRYSPKZ-UHFFFAOYSA-N
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Cite this record
CBID:174834 http://www.chembase.cn/molecule-174834.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-amino-5-chloro-2-(2H5)ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide
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IUPAC Traditional name
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4-amino-5-chloro-2-(2H5)ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide
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Synonyms
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4-Amino-5-chloro-2-(ethoxy-d5)-N-[[4-(4-fluorophenyl)methyl]-2-morpholinyl]methyl]benzamide
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Mosapid-d5
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Mosid-MT-d5
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Moza-d5
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Mosapride-d5
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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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14.464057
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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2.0809617
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LogD (pH = 7.4)
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2.7293458
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Log P
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2.7489038
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Molar Refractivity
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112.3429 cm3
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Polarizability
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42.373413 Å3
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Polar Surface Area
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76.82 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Yoshida, N., et al.: Arch. Int. Pharmacodyn. Ther., 300, 51 (1989)
- • Yatera, S., et al.: Japan. Pharmacol. Ther., 21, 21 (1989)
- • Ruth, M., et al.: Aliment Pharmacol. Ther., 12, 35 (1989)
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PATENTS
PATENTS
PubChem Patent
Google Patent