Organism

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Organism

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Chemical Name: (3-Hydroxy-propyl)-dimethyl-(4-{[1-(7-p-tolyl-2,3-dihydro-1-benzoxepin-4-yl)-methanoyl]-amino}-benzyl)-ammonium			Synonyms		AIDS# 092662
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 092662
IODIDE COUNTERION
C30 H35 N2 O3		MW: 471.62			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 7.93	Calc. LogP (MDL QSAR): 5.49
Company:			Calc. LogP (KowWin): 2.21
Lines of Data: 2	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 1	Number of References: 0	Lipinski: 3 (Score, out of 4)
Classes: CCR5 CO-RECEPTOR INHIBITORS; ANILIDES; BENZOXAZEPINES

Chemical Name: 4'-Methylsalicylanilide			Synonyms Salicylanilide analog		AIDS# 093186
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093186

C14 H13 N O2		MW: 227.26			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 3	PHIA (Flexible Bonds): 3.32	Calc. LogP (MDL QSAR): 3.64
Company:			Calc. LogP (KowWin): 3.84
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 62 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 4'-Bromosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093187
					Links to ChemID Plus by CAS# 2627-77-2
					Links to PubChem by AIDS# 093187

C13 H10 Br N O2		MW: 292.13			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 3	PHIA (Flexible Bonds): 3.68	Calc. LogP (MDL QSAR): 3.9
Company:			Calc. LogP (KowWin): 4.19
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 16 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 4'-Methoxysalicylanilide			Synonyms Salicylanilide analog		AIDS# 093188
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093188

C14 H13 N O3		MW: 243.26			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 3.84	Calc. LogP (MDL QSAR): 3.6
Company:			Calc. LogP (KowWin): 3.38
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 62 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 4'-Chlorosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093189
					Links to ChemID Plus by CAS# 3679-63-8
					Links to PubChem by AIDS# 093189

C13 H10 Cl N O2		MW: 247.68			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 3.54	Calc. LogP (MDL QSAR): 4.12
Company:			Calc. LogP (KowWin): 3.94
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 31 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 3',4'-Dichlorosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093190
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093190

C13 H9 Cl2 N O2		MW: 282.13			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 5	PHIA (Flexible Bonds): 3.99	Calc. LogP (MDL QSAR): 5.03
Company:			Calc. LogP (KowWin): 4.59
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 8 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 3 (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; ANILIDES

Chemical Name: 3'-Chlorosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093191
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093191

C13 H10 Cl N O2		MW: 247.68			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 3.54	Calc. LogP (MDL QSAR): 4.09
Company:			Calc. LogP (KowWin): 3.94
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 16 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 3'-Fluorosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093192
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093192

C13 H10 F N O2		MW: 231.23			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 3.27	Calc. LogP (MDL QSAR): 3.48
Company:			Calc. LogP (KowWin): 3.5
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 31 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 4'-Fluorosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093193
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093193

C13 H10 F N O2		MW: 231.23			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 3.27	Calc. LogP (MDL QSAR): 3.54
Company:			Calc. LogP (KowWin): 3.5
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 18	TB Min MIC 62 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

Chemical Name: 3'-Nitrosalicylanilide			Synonyms Salicylanilide analog		AIDS# 093194
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 093194

C13 H10 N2 O4		MW: 258.23			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 3.76	Calc. LogP (MDL QSAR): 3.34
Company:			Calc. LogP (KowWin): 3.83
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 17	TB Min MIC 16 uM	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 5	Lipinski: 4 (Score, out of 4)
Classes: ANILIDES

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