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Chemical Name: 2-Methyl-6-methoxy-4-[[(9-anthracenyl)formimidoyl]amino]quinoline Synonyms

  • 2Me6MeO4Quinoline-NHN=CH deriv.
AIDS# 005522
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005522


 
C26 H21 N3 O  MW: 391.47 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 4 PHIA (Flexible Bonds): 4.71 Calc. LogP
(MDL QSAR): 5.59
Company:  Calc. LogP
(KowWin): 6.33
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 5
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; QUINOLINES; HYDRAZONES; ANTHRACENES

 

Chemical Name: 9b-(9-Anthracenyl)-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bH)-one Synonyms

  • Thiazoloisoindol-5-one, C14H9 analog
AIDS# 005563
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005563


 
C24 H17 N O S  MW: 367.47 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 3 PHIA (Flexible Bonds): 3.11 Calc. LogP
(MDL QSAR): 4.97
Company:  BOEHRINGER MANNHEIM Calc. LogP
(KowWin): 5.3

Lines of Data: 1

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:    4                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; THIAZOLOISOINDOLONES; ANTHRACENES

 

Chemical Name: 3'-N-(1,4-Dimethoxy-10-cyano-9-aminoanthracene-9-N-thiocarbonyl)amino-3'-deoxythymidine Synonyms

  • 3'-9-Anthr-NH(S)NH-T deriv.
AIDS# 006865
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006865


 
C28 H27 N5 O6 S  MW: 561.62 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 12 PHIA (Flexible Bonds): 8.11 Calc. LogP
(MDL QSAR): 3.49
Company:  Calc. LogP
(KowWin): 2.55

Lines of Data: 2
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: PYRIMIDINE DIDEOXYNUCLEOSIDES; ANTHRACENES

 

Chemical Name: 3'-N-(1,2-Dimethoxy-10-cyano-9-aminoanthracene-9-N-thiocarbonyl)amino-3'-deoxythymidine Synonyms

  • 3'-9-Anthr-NH(S)NH-T deriv.
AIDS# 006866
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006866


 
C28 H27 N5 O6 S  MW: 561.62 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 12 PHIA (Flexible Bonds): 8.11 Calc. LogP
(MDL QSAR): 3.46
Company:  Calc. LogP
(KowWin): 2.03

Lines of Data: 2
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: PYRIMIDINE DIDEOXYNUCLEOSIDES; ANTHRACENES

 

Chemical Name: 3'-N-(1-Methoxy-10-cyano-9-aminoanthracene-9-N-thiocarbonyl)amino-3'-deoxythymidine Synonyms

  • 3'-9-Anthr-NH(S)NH-T deriv.
AIDS# 006867
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006867


 
C27 H25 N5 O5 S  MW: 531.59 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 11 PHIA (Flexible Bonds): 7.4 Calc. LogP
(MDL QSAR): 3.48
Company:  Calc. LogP
(KowWin): 2.47

Lines of Data: 2
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: PYRIMIDINE DIDEOXYNUCLEOSIDES; ANTHRACENES

 

Chemical Name: Benz[a]anthracene-1,7,12(2H)-trione, 3-[(5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-9-[5-[(5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-, (3R,4aR,12bS)- Synonyms

  • Sch 47554
AIDS# 010650
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010650


 
C37 H38 O13  MW: 690.69 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 13 PHIA (Flexible Bonds): 8.43 Calc. LogP
(MDL QSAR): 4.71
Company:  SCHERING-PLOUGH INSTITUTE Calc. LogP
(KowWin): 1.87
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    2                     (Score, out of 4)
Classes: ANTIFUNGALS; ANTHRACENES; BENZOQUINONES, FUSED

 

Chemical Name: Benz[a]anthracene-1,7,12(2H)-trione, 3-[(5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-9-[tetrahydro-6-methyl-5-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-2H-pyran-2-yl]-, (3R,4aR,12bS)- Synonyms

  • Sch 47555
AIDS# 010651
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150050-21-8

Links to PubChem by AIDS#

010651


 
C37 H42 O13  MW: 694.73 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 13 PHIA (Flexible Bonds): 8.77 Calc. LogP
(MDL QSAR): 4.36
Company:  SCHERING-PLOUGH INSTITUTE Calc. LogP
(KowWin): 1.81
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    2                     (Score, out of 4)
Classes: ANTIFUNGALS; ANTHRACENES; BENZOQUINONES, FUSED

 

Chemical Name: 10-.BETA.-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone-, 10(S)- Synonyms

  • Aloin
  • Aloinum
  • Barbaloin

  • NSC227189; NSC631263
AIDS# 012598
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1415-73-2

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012598


C-GLYCOSIDE 
C21 H22 O9  MW: 418.4 Links to PubMed by CAS#

H-bond donors: 7 H-bond acceptors: 9 PHIA (Flexible Bonds): 5.47 Calc. LogP
(MDL QSAR): -0.15
Company:  Calc. LogP
(KowWin): 0.55

Lines of Data: 2
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: ANTHRACENES; C-GLYCOSIDES

 

Chemical Name: [7,7'-Bi-1H-naphtho[2,3-c]pyran]-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo- Synonyms

  • Actinorhodine

  • NSC293161
AIDS# 016653
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15828-92-9

Links to PubChem by AIDS#

016653


 
C32 H26 O14  MW: 634.54 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 14 PHIA (Flexible Bonds): 7.66 Calc. LogP
(MDL QSAR): 2.88
Company:  Calc. LogP
(KowWin): 4.31

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:    1                     (Score, out of 4)
Classes: ANTHRACENES; NAPHTHOQUINONES; BENZOQUINONES, FUSED

 

Chemical Name: Benz[a]anthracene Synonyms

  • Benz[a]anthracene
AIDS# 017525
Click For Structure Based Search Links to ChemID Plus by CAS#

56-55-3

Links to PubChem by AIDS#

017525


 
C18 H12  MW: 228.29 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 0 PHIA (Flexible Bonds): 1.92 Calc. LogP
(MDL QSAR): 5.9
Company:  Calc. LogP
(KowWin): 5.52
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

>  100  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    3                     (Score, out of 4)
Classes: ANTHRACENES

 

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