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5-[({[3-(cyclopentyloxy)phenyl]carbamoyl}amino)methyl]-N-methylfuran-2-carboxamide
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ChemBase ID:
410309
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Molecular Formular:
C19H23N3O4
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Molecular Mass:
357.40362
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Monoisotopic Mass:
357.16885623
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SMILES and InChIs
SMILES:
c1(oc(cc1)CNC(=O)Nc1cc(OC2CCCC2)ccc1)C(=O)NC
Canonical SMILES:
CNC(=O)c1ccc(o1)CNC(=O)Nc1cccc(c1)OC1CCCC1
InChI:
InChI=1S/C19H23N3O4/c1-20-18(23)17-10-9-16(26-17)12-21-19(24)22-13-5-4-8-15(11-13)25-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKey:
YVUAOKKDZLAFLB-UHFFFAOYSA-N
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Cite this record
CBID:410309 http://www.chembase.cn/molecule-410309.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-[({[3-(cyclopentyloxy)phenyl]carbamoyl}amino)methyl]-N-methylfuran-2-carboxamide
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IUPAC Traditional name
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5-[({[3-(cyclopentyloxy)phenyl]carbamoyl}amino)methyl]-N-methylfuran-2-carboxamide
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Synonyms
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5-{[({[3-(cyclopentyloxy)phenyl]amino}carbonyl)amino]methyl}-N-methyl-2-furamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.035658
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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2.0771546
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LogD (pH = 7.4)
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2.0771537
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Log P
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2.0771546
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Molar Refractivity
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98.2269 cm3
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Polarizability
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36.676853 Å3
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Polar Surface Area
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92.6 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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3
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Log P
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2.5
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LOG S
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-3.94
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Polar Surface Area
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92.6 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent