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Chemical Name: 1H-Pyrrole-3-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)- Synonyms
AIDS# 154308
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154308


 
C20 H20 Cl2 N2 O S  MW: 407.36 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 5 PHIA (Flexible Bonds): 6.43 Calc. LogP
(MDL QSAR): 4.51
Company:  Calc. LogP
(KowWin): 6.07

Lines of Data: 6

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3

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

 

Chemical Name: 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-(4-pyridinylmethyl)-1H-pyrrol-3-ylmethyl carbamate Synonyms
AIDS# 154309
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154309


 
C21 H21 Cl2 N3 O2 S  MW: 450.39 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 7 PHIA (Flexible Bonds): 7.51 Calc. LogP
(MDL QSAR): 4.54
Company:  Calc. LogP
(KowWin): 6.19

Lines of Data: 6

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

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3

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

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(3-fluorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415888
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415888


 
C22 H23 F N2 O2 S  MW: 398.5 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 5 PHIA (Flexible Bonds): 6.78 Calc. LogP
(MDL QSAR): 4.44
Company:  Calc. LogP
(KowWin): 6.23

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: PYRROLES; ARYLTHIOPYRROLES; NON-NUCLEOSIDE RT INHIBITORS

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(3-chlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415889
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Links to PubChem by AIDS#

415889


 
C22 H23 Cl N2 O2 S  MW: 414.95 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 5 PHIA (Flexible Bonds): 7.08 Calc. LogP
(MDL QSAR): 4.81
Company:  Calc. LogP
(KowWin): 6.67

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: PYRROLES; ARYLTHIOPYRROLES; NON-NUCLEOSIDE RT INHIBITORS

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(3,5-difluorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415890
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415890


 
C22 H22 F2 N2 O2 S  MW: 416.49 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 6 PHIA (Flexible Bonds): 6.95 Calc. LogP
(MDL QSAR): 4.53
Company:  Calc. LogP
(KowWin): 6.43

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: PYRROLES; ARYLTHIOPYRROLES; NON-NUCLEOSIDE RT INHIBITORS

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(2-methylphenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415891
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Links to PubChem by AIDS#

415891


 
C23 H26 N2 O2 S  MW: 394.54 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 4 PHIA (Flexible Bonds): 6.83 Calc. LogP
(MDL QSAR): 4.97
Company:  Calc. LogP
(KowWin): 6.57

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: PYRROLES; ARYLTHIOPYRROLES

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(3-methylphenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415892
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Links to PubChem by AIDS#

415892


 
C23 H26 N2 O2 S  MW: 394.54 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 4 PHIA (Flexible Bonds): 6.83 Calc. LogP
(MDL QSAR): 5.03
Company:  Calc. LogP
(KowWin): 6.57

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:    3                     (Score, out of 4)
Classes: PYRROLES; ARYLTHIOPYRROLES; NON-NUCLEOSIDE RT INHIBITORS

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(4-methylphenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415893
Click For Structure Based Search Links to ChemID Plus by CAS#

Links to PubChem by AIDS#

415893


 
C23 H26 N2 O2 S  MW: 394.54 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 4 PHIA (Flexible Bonds): 6.83 Calc. LogP
(MDL QSAR): 5.1
Company:  Calc. LogP
(KowWin): 6.57

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:    3                     (Score, out of 4)
Classes: PYRROLES; ARYLTHIOPYRROLES

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-[(3,5-dimethylphenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, ethyl ester Synonyms
AIDS# 415894
Click For Structure Based Search Links to ChemID Plus by CAS#

Links to PubChem by AIDS#

415894


 
C24 H28 N2 O2 S  MW: 408.56 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 4 PHIA (Flexible Bonds): 7.06 Calc. LogP
(MDL QSAR): 5.57
Company:  Calc. LogP
(KowWin): 7.12

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: PYRROLES; ARYLTHIOPYRROLES; NON-NUCLEOSIDE RT INHIBITORS

 

Chemical Name: 1H-Pyrrole-3-carboxylic acid, 1-[(4-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, ethyl ester Synonyms
AIDS# 415895
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Links to PubChem by AIDS#

415895


 
C23 H24 Cl2 N2 O2 S  MW: 463.43 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 6 PHIA (Flexible Bonds): 7.8 Calc. LogP
(MDL QSAR): 5.18
Company:  Calc. LogP
(KowWin): 7.59

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: PYRROLES; ARYLTHIOPYRROLES; NON-NUCLEOSIDE RT INHIBITORS

 

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