Organism

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Organism

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Chemical Name: 2,5-Hexadienoic acid, 6-(2-chlorophenyl)-2,6-dihydroxy-4-oxo-, (2Z,5Z)-			Synonyms Benzenehexanoic acid, 2-chloro-.alpha., .gamma., .epsilon.-trioxo- NSC652165		AIDS# 051140
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 051140
MAY OCCUR IN KETO CONFIGURATION
C12 H9 Cl O5		MW: 268.65			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 6	PHIA (Flexible Bonds): 4.94	Calc. LogP (MDL QSAR): 2.57
Company:			Calc. LogP (KowWin): 2.18
Lines of Data: 6	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 2	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TRIKETOACIDS

Chemical Name: 2-Hexenoic acid, 2-hydroxy-4,6-dioxo-6-[2-(phenylmethoxy)phenyl]-			Synonyms		AIDS# 113532
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113532
MAY OCCUR IN KETO OR ENOL CONFIGURATION
C19 H16 O6		MW: 340.33			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 6.47	Calc. LogP (MDL QSAR): 2.64
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 2.66
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TRIKETOACIDS; INTEGRASE INHIBITORS

Chemical Name: 2-Hexenoic acid, 2-hydroxy-4,6-dioxo-6-[2-(trifluoromethyl)phenyl]-			Synonyms		AIDS# 113533
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113533
MAY OCCUR IN KETO OR ENOL CONFIGURATION
C13 H9 F3 O5		MW: 302.2			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 8	PHIA (Flexible Bonds): 5.12	Calc. LogP (MDL QSAR): 1.77
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 1.84
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TRIKETOACIDS; INTEGRASE INHIBITORS

Chemical Name: 2-Hexenoic acid, 2-hydroxy-6-(2-methoxyphenyl)-4,6-dioxo-			Synonyms Benzenehexanoic acid, 2-methoxy-.alpha., .gamma., .epsilon.-trioxo-		AIDS# 113534
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113534
MAY OCCUR IN KETO CONFIGURATION
C13 H12 O6		MW: 264.23			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 5.25	Calc. LogP (MDL QSAR): 1.8
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 0.96
Anti-HIV Cellular data: 0	Lines of Data: 3	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 3	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; TRIKETOACIDS

Chemical Name: 2-Hexenoic acid, 2-hydroxy-6-(2-naphthalenyl)-4,6-dioxo-			Synonyms		AIDS# 113535
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113535
MAY OCCUR IN KETO OR ENOL CONFIGURATION
C16 H12 O5		MW: 284.27			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 5	PHIA (Flexible Bonds): 4.37	Calc. LogP (MDL QSAR): 3.14
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 2.05
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TRIKETOACIDS; INTEGRASE INHIBITORS

Chemical Name: 2-Hexenoic acid, 6-[1,1'-biphenyl]-4-yl-2-hydroxy-4,6-dioxo-			Synonyms		AIDS# 113537
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113537
MAY OCCUR IN KETO OR ENOL CONFIGURATION
C18 H14 O5		MW: 310.3			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 5	PHIA (Flexible Bonds): 5.3	Calc. LogP (MDL QSAR): 3.25
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 2.64
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TRIKETOACIDS; INTEGRASE INHIBITORS

Chemical Name: 2-Hexenoic acid, 6-(3-chlorophenyl)-2-hydroxy-4,6-dioxo-			Synonyms		AIDS# 113538
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113538
MAY OCCUR IN KETO OR ENOL CONFIGURATION
C12 H9 Cl O5		MW: 268.65			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 4.91	Calc. LogP (MDL QSAR): 1.76
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 1.52
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TRIKETOACIDS; INTEGRASE INHIBITORS

Chemical Name: 2-Hexenoic acid, 6-(2-fluorophenyl)-2-hydroxy-4,6-dioxo-			Synonyms		AIDS# 113539
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113539
MAY OCCUR IN KETO OR ENOL CONFIGURATIONS
C12 H9 F O5		MW: 252.2			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 4.59	Calc. LogP (MDL QSAR): 0.62
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 1.07
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; TRIKETOACIDS

Chemical Name: 2-Hexenoic acid, 6-(2,5-dichlorophenyl)-2-hydroxy-4,6-dioxo-			Synonyms		AIDS# 113540
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113540

C12 H8 Cl2 O5		MW: 303.1			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 7	PHIA (Flexible Bonds): 5.38	Calc. LogP (MDL QSAR): 1.88
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 2.16
Anti-HIV Cellular data: 0	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 1	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; TRIKETOACIDS

Chemical Name: 2-Hexenoic acid, 6-phenyl-2-hydroxy-4,6-dioxo-			Synonyms		AIDS# 113541
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 113541
MAY OCCUR IN KETO OR ENOL CONFIGURATIONS
C12 H10 O5		MW: 234.21			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 5	PHIA (Flexible Bonds): 4.45	Calc. LogP (MDL QSAR): 1.59
Company: BRISTOL-MYERS SQUIBB			Calc. LogP (KowWin): 0.87
Anti-HIV Cellular data: 0	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; TRIKETOACIDS

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