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Chemical Name: 1,1-Bis[5'-chloro-4'-hydroxy-3'-(N-hydroxycarbamoyl)phenyl]-1-heptene Synonyms

  • Cosalane analog

  • NSC663804
AIDS# 025253
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025253


LITREF# 1427(AMMONIUM SALT) 
C21 H22 Cl2 N2 O6  MW: 469.32 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 10 PHIA (Flexible Bonds): 9.3 Calc. LogP
(MDL QSAR): 3.16
Company:  NCI Calc. LogP
(KowWin): 5.36

Lines of Data: 8

Lines of Data: 2
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3

Number of References: 1
Number of References: 0
Lipinski:    3                     (Score, out of 4)
Classes: NON-PEPTIDIC HIV PROTEASE INHIBITORS; AURINTRICARBOXYLIC ACIDS (ATA); ALKENYLDIARYLMETHANES (ADAM)

 

Chemical Name: Methyl 3-bromo-5-(1-(5-bromo-4-methoxy-3-(methoxycarbonyl)phenyl)hept-1-enyl)-2-methoxybenzoate Synonyms

  • Alkenyldiarylmethane analog
  • ADAM analog

  • NSC640065
AIDS# 031539
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031539


 
C25 H28 Br2 O6  MW: 584.3 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 11.08 Calc. LogP
(MDL QSAR): 6.32
Company:  Calc. LogP
(KowWin): 7.85

Lines of Data: 50

Lines of Data: 10
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 7

Number of References: 4
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM)

 

Chemical Name: 3',3""-Dibromo-4',4""-dimethoxy-5',5""-bis(methoxycarbonyl-1,1-diphenyl-1-undecene Synonyms

  • diBr-di(MeO)di(MeOCO)diPh-undecene

  • NSC641041
AIDS# 031540
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031540


 
C29 H36 Br2 O6  MW: 640.41 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 13.91 Calc. LogP
(MDL QSAR): 8.44
Company:  Calc. LogP
(KowWin): 9.81

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: 2
Number of References: 0
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM)

 

Chemical Name: 3',3""-Dichloro-4',4""-dimethoxy-5',5""-bis(methoxycarbonyl-1,1-diphenyl-1-heptene Synonyms

  • diCl-di(MeO)di(MeOCO)diPh-hepten

  • NSC631702
AIDS# 031541
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031541


 
C25 H28 Cl2 O6  MW: 495.4 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 8 PHIA (Flexible Bonds): 10.7 Calc. LogP
(MDL QSAR): 6.6
Company:  Calc. LogP
(KowWin): 7.35

Lines of Data: 6
Anti-HIV Enzyme data: 0
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 4
Number of References: 0
Number of References: 0
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM)

 

Chemical Name: 3',3""-Dibromo-4',4""-dimethoxy-5',5""-bis(methoxycarbonyl)-1,1-diphenyl-1-heptadecene Synonyms

  • diBr-di(MeO)di(MeOCO)diPh-heptadecene

  • NSC641042
AIDS# 031542
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031542


 
C35 H48 Br2 O6  MW: 724.57 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 18.43 Calc. LogP
(MDL QSAR): 10.14
Company:  Calc. LogP
(KowWin): 12.76

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: 2
Number of References: 0
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM)

 

Chemical Name: Diammonium 3',3""-Dichloro-4',4""-dihydroxy-5',5""-dicarboxy-1,1-diphenyl-1-heptene Synonyms

  • diNH4-diCl-diOH-di(COOH)diPh-hepten
AIDS# 031543
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031543


 
C21 H18 Cl2 O6 . 2 H4 N  MW: 473.35 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 8 PHIA (Flexible Bonds): 11.42 Calc. LogP
(MDL QSAR): 9.31
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:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM); BENZOIC ACIDS

 

Chemical Name: Diammonium 3',3""-Dibromo-4',4""-dihydroxy-5',5""-dicarboxy-1,1-diphenyl-1-heptene Synonyms

  • diNH4-diBr-diOH-di(COOH)diPh-hepten
AIDS# 031544
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Links to PubChem by AIDS#

031544


 
C21 H18 Br2 O6 . 2 H4 N  MW: 562.25 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 6 PHIA (Flexible Bonds): 11.85 Calc. LogP
(MDL QSAR): 9.52
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: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM); BENZOIC ACIDS

 

Chemical Name: 3',3-Dichloro-4',4-dimethoxy-5',5-dicarboxy-1,1-diphenyl-1-heptene; DiCl-di(MeO)di(COOH)diPh-hepten Synonyms

  • diCl-di(MeO)di(COOH)diPh-hepten

  • NSC644502
AIDS# 031545
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031545


AMMONIUM SALT 
C23 H24 Cl2 O6  MW: 467.34 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 8 PHIA (Flexible Bonds): 9.37 Calc. LogP
(MDL QSAR): 5.54
Company:  Calc. LogP
(KowWin): 6.76

Lines of Data: 3
Anti-HIV Enzyme data: 0
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3
Number of References: 0
Number of References: 0
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM); BENZOIC ACIDS

 

Chemical Name: 4-Bromo-3',3""-dichloro-4',4""-dimethoxy-5',5""-bis-(methoxycarbonyl)-1,1-diphenyl-1-butene Synonyms

  • Br-diCl-di(MeO)di(MeOCO)diPh-butene

  • NSC641451
AIDS# 031546
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031546


 
C22 H21 Br Cl2 O6  MW: 532.21 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 8 PHIA (Flexible Bonds): 9.84 Calc. LogP
(MDL QSAR): 4.87
Company:  Calc. LogP
(KowWin): 6.23

Lines of Data: 3
Anti-HIV Enzyme data: 0
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3
Number of References: 0
Number of References: 0
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM)

 

Chemical Name: 3',3""-Dicarbamoyl-4',4""-dimethoxy-5',5""-dichloro-1,1-diphenyl-1-heptene Synonyms

  • diCl-di(MeO)di(NHCO)diPh-hepten

  • NSC641045
AIDS# 031547
Click For Structure Based Search Links to ChemID Plus by CAS#

Links to PubChem by AIDS#

031547


 
C23 H26 Cl2 N2 O4  MW: 465.37 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 8 PHIA (Flexible Bonds): 9.37 Calc. LogP
(MDL QSAR): 4.44
Company:  Calc. LogP
(KowWin): 4.1

Lines of Data: 3
Anti-HIV Enzyme data: 0
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 2
Number of References: 0
Number of References: 0
Lipinski:    4                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; ALKENYLDIARYLMETHANES (ADAM); BENZAMIDES

 

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