Organism

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Organism

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Chemical Name: [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester; 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester)			Synonyms Scopine tropate Scopolamine Tropane alkaloid Hyoscine NSC61806 (HBR)		AIDS# 002711
					Links to ChemID Plus by CAS# 114-49-8 [HBR] 51-34-36533-68-2 [HBR, TRIHYDRATE]
					Links to PubChem by AIDS# 002711
ISOLATED DROM SCOPALA CARNIOLICA; HYDROBROMIDE SALT; OR HYDROBROMIDE SALT, TRIHYDRATE; OR HYDROCHLORIDE SALT
C17 H21 N O4		MW: 303.36			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 3.53	Calc. LogP (MDL QSAR): 1.25
Company:			Calc. LogP (KowWin): 0.39
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: ALKALOIDS; NATURAL PRODUCTS; TROPANES

Chemical Name: Cyclohexanecarboxamide, 4,4-difluoro-N-[(1S)-1-(3-fluorophenyl)-3-[3-[3-methyl-5-isopropyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]propyl]-			Synonyms		AIDS# 007803
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 007803

C29 H40 F3 N5 O		MW: 531.66			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 8	PHIA (Flexible Bonds): 8.08	Calc. LogP (MDL QSAR): 5.7
Company: PFIZER			Calc. LogP (KowWin): 6
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: 2 (Score, out of 4)
Classes: TROPANES; CCR5 CO-RECEPTOR INHIBITORS

Chemical Name: Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-; 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate			Synonyms Hyoscyamine Hyoscyamine (L) NSC61808 (HCL)		AIDS# 012108
					Links to ChemID Plus by CAS# 101-31-5 [FREE BASE] 5934-50-9 [HCL] 55-48-1 [SULFATE(2:1)]
					Links to PubChem by AIDS# 012108
OR HYDROCHLORIDE SALT
C17 H23 N O3		MW: 289.37			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 4.38	Calc. LogP (MDL QSAR): 1.9
Company:			Calc. LogP (KowWin): 1.91
Lines of Data: 1	Anti-HIV Enzyme data: 0	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TROPANES

Chemical Name: 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol			Synonyms Tropin Tropine NSC43870; NSC43871		AIDS# 014739
					Links to ChemID Plus by CAS# 120-29-6
					Links to PubChem by AIDS# 014739

C8 H15 N O		MW: 141.21			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 2	PHIA (Flexible Bonds): 1.46	Calc. LogP (MDL QSAR): 0.77
Company:			Calc. LogP (KowWin): 0.24
Lines of Data: 3	Anti-HIV Enzyme data: 0	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: TROPANES

Chemical Name: Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (.alpha.S)-; 9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate			Synonyms Aminoxyscopolamine hydrobromide Scopolamine aminoxide hydrobromide Scopolamine, N-oxide, hydrobromide NSC61807 (HBR)		AIDS# 014753
					Links to ChemID Plus by CAS# 6106-81-6 [HBR]
					Links to PubChem by AIDS# 014753
HYDROBROMIDE SALT
C17 H21 N O5		MW: 319.36			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 3.46	Calc. LogP (MDL QSAR): 1.54
Company:			Calc. LogP (KowWin): -2.67
Lines of Data: 1	Anti-HIV Enzyme data: 0	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TROPANES

Chemical Name: Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-oxido-8-azabicyclo[3.2.1]oct-3-yl ester; 8-Methyl-8-oxido-8-azabicyclo[3.2.1]oct-3-yl tropate			Synonyms Aminoxytropine tropate ATROPINE, N-OXIDE NSC72861 (FREE BASE)		AIDS# 014762
					Links to ChemID Plus by CAS# 4438-22-6 [FREE BASE]
					Links to PubChem by AIDS# 014762
OR HYDROCHLORIDE SALT
C17 H23 N O4		MW: 305.37			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 4.21	Calc. LogP (MDL QSAR): 2.32
Company:			Calc. LogP (KowWin): -1.15
Lines of Data: 1	Anti-HIV Enzyme data: 0	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: TROPANES

Chemical Name: 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-8-azabicyclo[3.2.1]oct-8-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-			Synonyms Quinolone der. PD120114		AIDS# 044928
					Links to ChemID Plus by CAS# 183254-50-4
					Links to PubChem by AIDS# 044928

C19 H21 F N4 O3		MW: 372.4			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 8	PHIA (Flexible Bonds): 3.81	Calc. LogP (MDL QSAR): 0.57
Company: PARKE-DAVIS			Calc. LogP (KowWin): 0.92
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 4	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 2	Lipinski: 4 (Score, out of 4)
Classes: FLUOROQUINOLONES; TROPANES; ANTIMYCOBACTERIALS

Chemical Name: Cyclobutanecarboxamide, N-[(1S)-3-[3-[3-methyl-5-isopropyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-			Synonyms		AIDS# 081226
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 081226

C27 H39 N5 O		MW: 449.64			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 6.77	Calc. LogP (MDL QSAR): 4.79
Company: PFIZER			Calc. LogP (KowWin): 5.85
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: TROPANES; CCR5 CO-RECEPTOR INHIBITORS; CYCLOBUTANES

Chemical Name: Cyclopentanecarboxamide, N-[(1S)-3-[3-[3-methyl-5-isopropyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-			Synonyms		AIDS# 081253
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 081253

C28 H41 N5 O		MW: 463.67			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 7.28	Calc. LogP (MDL QSAR): 5.43
Company: PFIZER			Calc. LogP (KowWin): 6.64
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: 3 (Score, out of 4)
Classes: TROPANES; CCR5 CO-RECEPTOR INHIBITORS

Chemical Name: Butanamide, 4,4,4-trifluoro-N-[(1S)-3-[3-[3-methyl-5-isopropyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-			Synonyms		AIDS# 081265
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 081265

C26 H36 F3 N5 O		MW: 491.6			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 8	PHIA (Flexible Bonds): 8.08	Calc. LogP (MDL QSAR): 4.14
Company: PFIZER			Calc. LogP (KowWin): 5.67
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: TROPANES; CCR5 CO-RECEPTOR INHIBITORS

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