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(5-{1-[6-(phenylamino)pyridin-3-yl]-1H-imidazol-2-yl}furan-2-yl)methanol

ChemBase ID: 865749
Molecular Formular: C19H16N4O2
Molecular Mass: 332.35594
Monoisotopic Mass: 332.12732577
SMILES and InChIs

SMILES:
c1(n(c2cnc(Nc3ccccc3)cc2)ccn1)c1oc(cc1)CO
Canonical SMILES:
OCc1ccc(o1)c1nccn1c1ccc(nc1)Nc1ccccc1
InChI:
InChI=1S/C19H16N4O2/c24-13-16-7-8-17(25-16)19-20-10-11-23(19)15-6-9-18(21-12-15)22-14-4-2-1-3-5-14/h1-12,24H,13H2,(H,21,22)
InChIKey:
KWXALLBISMJIRJ-UHFFFAOYSA-N

Cite this record

CBID:865749 http://www.chembase.cn/molecule-865749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-{1-[6-(phenylamino)pyridin-3-yl]-1H-imidazol-2-yl}furan-2-yl)methanol
IUPAC Traditional name
(5-{1-[6-(phenylamino)pyridin-3-yl]imidazol-2-yl}furan-2-yl)methanol
Synonyms
{5-[1-(6-anilinopyridin-3-yl)-1H-imidazol-2-yl]-2-furyl}methanol

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)
Acid pKa 13.701114  H Acceptors
H Donor LogD (pH = 5.5) 2.6110463 
LogD (pH = 7.4) 2.7881203  Log P 2.7907894 
Molar Refractivity 114.8351 cm3 Polarizability 36.85068 Å3
Polar Surface Area 76.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.36  LOG S -3.64 
Polar Surface Area 76.11 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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