Organism

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Organism

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Chemical Name: (2Z)-2-Acetyl-N-(2-methylphenyl)-3-{[({4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}amino)carbonothioyl]amino}acrylamide			Synonyms NSC658328		AIDS# 029402
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 029402

C22 H21 N5 O4 S3		MW: 515.64			Links to PubMed by CAS#
H-bond donors: 4	H-bond acceptors: 11	PHIA (Flexible Bonds): 8.74	Calc. LogP (MDL QSAR): 4.84
Company:			Calc. LogP (KowWin): 1.84
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: 2 (Score, out of 4)
Classes: THIOUREAS; THIAZOLES; ACRYLAMIDES; BENZENESULFONAMIDES

Chemical Name: (2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide			Synonyms NSC658300		AIDS# 141868
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141868
Z
C16 H19 N3 O2 S		MW: 317.41			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 6	PHIA (Flexible Bonds): 7.48	Calc. LogP (MDL QSAR): 3.21
Company:			Calc. LogP (KowWin): 1.25
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: THIOUREAS; ACRYLAMIDES; ALLYL COMPOUNDS

Chemical Name: (2Z)-2-Acetyl-3-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)-N-(2-methylphenyl)acrylamide			Synonyms NSC658301		AIDS# 141869
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141869
Z
C21 H23 N3 O3 S		MW: 397.5			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 7	PHIA (Flexible Bonds): 8.31	Calc. LogP (MDL QSAR): 4.66
Company:			Calc. LogP (KowWin): 2.77
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: THIOUREAS; ACRYLAMIDES

Chemical Name: (2Z)-2-Acetyl-3-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-N-(2-methylphenyl)acrylamide			Synonyms NSC658305		AIDS# 141872
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141872

C19 H20 N4 O4 S2		MW: 432.52			Links to PubMed by CAS#
H-bond donors: 4	H-bond acceptors: 9	PHIA (Flexible Bonds): 7.62	Calc. LogP (MDL QSAR): 3.82
Company:			Calc. LogP (KowWin): 0.57
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: THIOUREAS; ACRYLAMIDES; BENZENESULFONAMIDES

Chemical Name: (2E)-2-Acetyl-3-({[(3,4-dichlorophenyl)amino]carbonothioyl}amino)-N-(2-methylphenyl)acrylamide			Synonyms NSC658307		AIDS# 141874
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141874

C19 H17 Cl2 N3 O2 S		MW: 422.33			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 8	PHIA (Flexible Bonds): 7.79	Calc. LogP (MDL QSAR): 5.56
Company:			Calc. LogP (KowWin): 3.49
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: 3 (Score, out of 4)
Classes: THIOUREAS; ACRYLAMIDES

Chemical Name: (2E)-2-Cyano-3-[(pyridin-4-ylcarbonothioyl)amino]acrylamide			Synonyms NSC658314		AIDS# 141881
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141881

C10 H8 N4 O S		MW: 232.27			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 4.42	Calc. LogP (MDL QSAR): 1.3
Company:			Calc. LogP (KowWin): -0.46
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: PYRIDINES; ACRYLAMIDES; CARBOTHIAMIDES

Chemical Name: (2Z)-2-Acetyl-N-(2-methylphenyl)-3-[(pyridin-4-ylcarbonothioyl)amino]acrylamide			Synonyms NSC658322		AIDS# 141889
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141889
Z
C18 H17 N3 O2 S		MW: 339.42			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 6	PHIA (Flexible Bonds): 6.2	Calc. LogP (MDL QSAR): 3.18
Company:			Calc. LogP (KowWin): 1.73
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: PYRIDINES; ACRYLAMIDES

Chemical Name: (2E)-2-Acetyl-N-(2-methylphenyl)-3-{[(octadecylamino)carbonothioyl]amino}acrylamide			Synonyms NSC658330		AIDS# 141894
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141894

C31 H51 N3 O2 S		MW: 529.83			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 6	PHIA (Flexible Bonds): 20.04	Calc. LogP (MDL QSAR): 8.71
Company:			Calc. LogP (KowWin): 8.75
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: 2 (Score, out of 4)
Classes: THIOUREAS; ACRYLAMIDES

Chemical Name: (2E)-2-Acetyl-3-[(anilinocarbonothioyl)amino]-N-(2-methylphenyl)acrylamide			Synonyms NSC658333		AIDS# 141897
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 141897

C19 H19 N3 O2 S		MW: 353.44			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 6	PHIA (Flexible Bonds): 6.85	Calc. LogP (MDL QSAR): 3.85
Company:			Calc. LogP (KowWin): 2.2
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: THIOUREAS; ACRYLAMIDES

Chemical Name: (2Z)-2-Acetyl-N-(2-methylphenyl)-3-[({[3-(trifluoromethyl)phenyl]amino}carbonothioyl)amino]acrylamide			Synonyms NSC658898		AIDS# 142071
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 142071
Z
C20 H18 F3 N3 O2 S		MW: 421.44			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 9	PHIA (Flexible Bonds): 7.52	Calc. LogP (MDL QSAR): 5.4
Company:			Calc. LogP (KowWin): 3.16
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: 3 (Score, out of 4)
Classes: THIOUREAS; ACRYLAMIDES

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