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7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 341072
Molecular Formular: C18H26N4O
Molecular Mass: 314.42524
Monoisotopic Mass: 314.21066147
SMILES and InChIs

SMILES:
C1(=O)C2(CN(Cc3ncccn3)CC2)CCCN1C1CCCC1
Canonical SMILES:
O=C1N(CCCC21CCN(C2)Cc1ncccn1)C1CCCC1
InChI:
InChI=1S/C18H26N4O/c23-17-18(7-3-11-22(17)15-5-1-2-6-15)8-12-21(14-18)13-16-19-9-4-10-20-16/h4,9-10,15H,1-3,5-8,11-14H2
InChIKey:
XMLWHCVZEOGGRH-UHFFFAOYSA-N

Cite this record

CBID:341072 http://www.chembase.cn/molecule-341072.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
Synonyms
7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13969963 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
LogD (pH = 7.4) 1.5605986  Log P 1.7265451 
Molar Refractivity 89.8018 cm3 Polarizability 34.86711 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.15066504 
Log P 1.93  LOG S -3.14 
Polar Surface Area 49.33 Å2 Rotatable Bonds
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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