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N-({7-[4-(4-methoxyphenyl)-4-oxobutanoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-(piperidin-1-yl)acetamide

ChemBase ID: 323142
Molecular Formular: C28H36N4O4
Molecular Mass: 492.60984
Monoisotopic Mass: 492.27365565
SMILES and InChIs

SMILES:
N1(C(=O)CCC(=O)c2ccc(cc2)OC)Cc2c(c(CNC(=O)CN3CCCCC3)c(nc2)C)CC1
Canonical SMILES:
COc1ccc(cc1)C(=O)CCC(=O)N1CCc2c(C1)cnc(c2CNC(=O)CN1CCCCC1)C
InChI:
InChI=1S/C28H36N4O4/c1-20-25(17-30-27(34)19-31-13-4-3-5-14-31)24-12-15-32(18-22(24)16-29-20)28(35)11-10-26(33)21-6-8-23(36-2)9-7-21/h6-9,16H,3-5,10-15,17-19H2,1-2H3,(H,30,34)
InChIKey:
IXGZPECOGFFACD-UHFFFAOYSA-N

Cite this record

CBID:323142 http://www.chembase.cn/molecule-323142.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-({7-[4-(4-methoxyphenyl)-4-oxobutanoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-(piperidin-1-yl)acetamide
IUPAC Traditional name
N-({7-[4-(4-methoxyphenyl)-4-oxobutanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl}methyl)-2-(piperidin-1-yl)acetamide
Synonyms
N-({7-[4-(4-methoxyphenyl)-4-oxobutanoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-(1-piperidinyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11389311 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
H Acceptors H Donor
Log P 2.3  LOG S -3.59 
Polar Surface Area 91.84 Å2 Rotatable Bonds
H Donor LogD (pH = 5.5) -0.9867187 
LogD (pH = 7.4) 0.7886142  Log P 1.2030333 
Molar Refractivity 139.2779 cm3 Polarizability 53.462803 Å3
Polar Surface Area 91.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.872738 
H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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