NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine
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IUPAC Traditional name
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5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine
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Synonyms
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5-[(4-Methylphenyl)thio]-2,4-quinazolinediamine
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MWP 01127
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5-(4-Tolylthio)-2,4-diaminoquinazoline
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5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
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16.669458
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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2.6926003
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LogD (pH = 7.4)
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3.6816263
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Log P
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3.742625
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Molar Refractivity
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86.1861 cm3
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Polarizability
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32.749275 Å3
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Polar Surface Area
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77.82 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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Log P
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2.94
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LOG S
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-4.45
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Solubility (Water)
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1.00e-02 g/l
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
DrugBank
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Harris, N., et al.: J. Med. Chem., 33, 434 (1990)
- • Chan, J., et al.: J. Med. Chem., 38, 3608 (1990)
- • Rafi, I., et al.: Clin. Cancer Res., 1, 1275 (1990)
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PATENTS
PATENTS
PubChem Patent
Google Patent