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5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(quinolin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
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ChemBase ID:
470609
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Molecular Formular:
C26H31N5O2S
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Molecular Mass:
477.62164
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Monoisotopic Mass:
477.21984626
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SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(C1CCN(Cc2c3c(nccc3)ccc2)CC1)CC)CCc1c(ncs1)C
Canonical SMILES:
CCC1(NC(=O)N(C1=O)CCc1scnc1C)C1CCN(CC1)Cc1cccc2c1cccn2
InChI:
InChI=1S/C26H31N5O2S/c1-3-26(24(32)31(25(33)29-26)15-11-23-18(2)28-17-34-23)20-9-13-30(14-10-20)16-19-6-4-8-22-21(19)7-5-12-27-22/h4-8,12,17,20H,3,9-11,13-16H2,1-2H3,(H,29,33)
InChIKey:
GOUQKARRASCZNM-UHFFFAOYSA-N
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Cite this record
CBID:470609 http://www.chembase.cn/molecule-470609.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(quinolin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
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IUPAC Traditional name
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5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(quinolin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
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Synonyms
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5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(5-quinolinylmethyl)-4-piperidinyl]-2,4-imidazolidinedione
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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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11.376152
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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0.013900224
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LogD (pH = 7.4)
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1.5785822
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Log P
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3.2459714
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Molar Refractivity
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132.7904 cm3
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Polarizability
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52.488087 Å3
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Polar Surface Area
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78.43 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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H Acceptors
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5
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H Donor
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1
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Log P
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2.97
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LOG S
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-5.26
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Polar Surface Area
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78.43 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