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Chemical Name: Acetic acid, 2-[(12c-methyl-12cH-4,8,12-trioxadi-benzo[c,d,mn]pyren-6-yl)amino]-2-oxo-, ethyl ester Synonyms

  • NSC695177
AIDS# 057609
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057609


 
C23 H15 N O6  MW: 401.37 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 7 PHIA (Flexible Bonds): 3.48 Calc. LogP
(MDL QSAR): 5.05
Company:  Calc. LogP
(KowWin): 2.27

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: 12c-Methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyrene-2,6-diamine Synonyms

  • NSC695169
AIDS# 152178
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152178


 
C20 H14 N2 O3  MW: 330.34 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 5 PHIA (Flexible Bonds): 2.28 Calc. LogP
(MDL QSAR): 4.77
Company:  Calc. LogP
(KowWin): 2.36

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: 12CH-4,8,12-trioxadibenzo[cd,mn]pyrene-2,6,10-triamine Synonyms

  • NSC695170
AIDS# 152179
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152179


 
C19 H13 N3 O3  MW: 331.33 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 6 PHIA (Flexible Bonds): 2.37 Calc. LogP
(MDL QSAR): 3.34
Company:  Calc. LogP
(KowWin): 0.99

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: 12c-Methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyrene-1,5,9-tricarbaldehyde Synonyms

  • NSC695171
AIDS# 152180
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152180


 
C23 H12 O6  MW: 384.34 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 3.03 Calc. LogP
(MDL QSAR): 4.08
Company:  Calc. LogP
(KowWin): 2.84

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:    4                     (Score, out of 4)
Classes: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: 12c-Methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyrene-1,5,11-tricarbaldehyde Synonyms

  • NSC695172
AIDS# 152181
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152181


 
C23 H12 O6  MW: 384.34 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 3.03 Calc. LogP
(MDL QSAR): 4.04
Company:  Calc. LogP
(KowWin): 3.18

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: 12CH-4,8,12-trioxadibenzo[cd,mn]pyren-12c-amine; 12CH-4,8,12-trioxadibenzo[cd,mn]pyren-12c-ylamine Synonyms

  • NSC695173
AIDS# 152182
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152182


 
C19 H11 N O3  MW: 301.3 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 4 PHIA (Flexible Bonds): 1.93 Calc. LogP
(MDL QSAR): 4.34
Company:  Calc. LogP
(KowWin): 3.24

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: N-(6,10-Bis((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)((4-methylphenyl)sulfonyl)amino)-12c-methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-N-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)-4-methylbenzenesulfonamide Synonyms

  • NSC695174
AIDS# 152183
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152183


 
C71 H54 N6 O15 S3  MW: 1327.43 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 21 PHIA (Flexible Bonds): 14.66 Calc. LogP
(MDL QSAR): 3.07
Company:  Calc. LogP
(KowWin): 

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: N-(2-((12c-Methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)((4-methylphenyl)sulfonyl)amino)ethyl)-2,3-dihydroxybenzamide Synonyms

  • NSC695175
AIDS# 152184
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152184


 
C36 H28 N2 O8 S  MW: 648.69 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 10 PHIA (Flexible Bonds): 6.81 Calc. LogP
(MDL QSAR): 6.33
Company:  Calc. LogP
(KowWin): 7.2

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:    2                     (Score, out of 4)
Classes: CATECHOLS; 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: N-(2-Aminoethyl)-N-(12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-4-methylbenzenesulfonamide Synonyms

  • NSC695176
AIDS# 152185
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152185


 
C28 H22 N2 O5 S  MW: 498.56 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 7 PHIA (Flexible Bonds): 4.75 Calc. LogP
(MDL QSAR): 4.96
Company:  Calc. LogP
(KowWin): 5.09

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

Chemical Name: 2,6,10-Tribromo-12c-methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyrene Synonyms

  • NSC695178
AIDS# 152186
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152186


 
C20 H9 Br3 O3  MW: 537 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 3 PHIA (Flexible Bonds): 3.12 Calc. LogP
(MDL QSAR): 6.29
Company:  Calc. LogP
(KowWin): 6.86

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: 4,8,12-TRIOXADI-BENZO[C,D,MN]PYRENES

 

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