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[(1-cyclopentylpiperidin-4-yl)methyl][(8-methoxyquinolin-2-yl)methyl](pyridin-3-ylmethyl)amine

ChemBase ID: 341149
Molecular Formular: C28H36N4O
Molecular Mass: 444.61164
Monoisotopic Mass: 444.28891179
SMILES and InChIs

SMILES:
n1c2c(OC)cccc2ccc1CN(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
Canonical SMILES:
COc1cccc2c1nc(cc2)CN(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
InChI:
InChI=1S/C28H36N4O/c1-33-27-10-4-7-24-11-12-25(30-28(24)27)21-31(20-23-6-5-15-29-18-23)19-22-13-16-32(17-14-22)26-8-2-3-9-26/h4-7,10-12,15,18,22,26H,2-3,8-9,13-14,16-17,19-21H2,1H3
InChIKey:
LHQCFEQNQLCRNK-UHFFFAOYSA-N

Cite this record

CBID:341149 http://www.chembase.cn/molecule-341149.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1-cyclopentylpiperidin-4-yl)methyl][(8-methoxyquinolin-2-yl)methyl](pyridin-3-ylmethyl)amine
IUPAC Traditional name
[(1-cyclopentylpiperidin-4-yl)methyl][(8-methoxyquinolin-2-yl)methyl](pyridin-3-ylmethyl)amine
Synonyms
1-(1-cyclopentyl-4-piperidinyl)-N-[(8-methoxy-2-quinolinyl)methyl]-N-(3-pyridinylmethyl)methanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.1767527  LogD (pH = 7.4) 1.2267345 
Log P 4.3450074  Molar Refractivity 133.601 cm3
Polarizability 53.77227 Å3 Polar Surface Area 41.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.32  LOG S -3.21 
Polar Surface Area 41.49 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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