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Chemical Name: (1R,2S,3R)-3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-cyclopentane-1,2-diol Synonyms

  • 1, 2-Cyclopentanediol, 3-(4-amino-7H-pyrrolo[2, 3-d]pyrimidin-7-yl)-, [1R-(1.alpha., 2.alpha., 3.beta.)]-
AIDS# 072953
Click For Structure Based Search Links to ChemID Plus by CAS#

194800-77-6

Links to PubChem by AIDS#

072953


.BETA.-D 
C11 H14 N4 O2  MW: 234.26 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 5 PHIA (Flexible Bonds): 2.44 Calc. LogP
(MDL QSAR): -0.48
Company:  Calc. LogP
(KowWin): -0.25

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: NUCLEOSIDES, CARBOCYCLIC; S-ADENOSYLHOMOCYSTEINE HYDROLASE INHIBITORS; PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]- Synonyms
AIDS# 113404
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113404


.BETA.-D 
C13 H15 N5 O  MW: 257.3 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 5 PHIA (Flexible Bonds): 3.03 Calc. LogP
(MDL QSAR): 0.56
Company:  GLAXO WELLCOME INC Calc. LogP
(KowWin): 0.92

Lines of Data: 1
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NUCLEOSIDES, CARBOCYCLIC; PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES; HEPATITIS B (HBV) INHIBITORS

 

Chemical Name: 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]- Synonyms
AIDS# 113405
Click For Structure Based Search Links to ChemID Plus by CAS#

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113405


.BETA.-D 
C13 H17 N5 O2  MW: 275.31 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 6 PHIA (Flexible Bonds): 3.35 Calc. LogP
(MDL QSAR): -0.31
Company:  GLAXO WELLCOME INC Calc. LogP
(KowWin): 0.12

Lines of Data: 1
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NUCLEOSIDES, CARBOCYCLIC; PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES; HEPATITIS B (HBV) INHIBITORS

 

Chemical Name: 1,2,3-Cyclopentanetriol, 4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, (1R,2S,3R,4S)- Synonyms
AIDS# 114080
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114080


.BETA.-L 
C11 H14 N4 O3  MW: 250.26 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 6 PHIA (Flexible Bonds): 2.65 Calc. LogP
(MDL QSAR): -1.08
Company:  Calc. LogP
(KowWin): -1.19

Lines of Data: 2
Anti-HIV Enzyme data: 0

Lines of Data: 11
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NUCLEOSIDES, CARBOCYCLIC; PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: 1,2-Cyclopentanediol, 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxy-, (1R,2R,3S,5R)- Synonyms
AIDS# 114102
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114102


.BETA.-L 
C12 H16 N4 O3  MW: 264.28 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 6 PHIA (Flexible Bonds): 3.08 Calc. LogP
(MDL QSAR): -0.7
Company:  Calc. LogP
(KowWin): -1.09

Lines of Data: 2
Anti-HIV Enzyme data: 0

Lines of Data: 11
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NUCLEOSIDES, CARBOCYCLIC; PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: (1S,2R,3S,4R)-4-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-cyclopentane-1,2,3-triol Synonyms
AIDS# 114140
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114140


.BETA.-D 
C11 H14 N4 O3  MW: 250.26 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 6 PHIA (Flexible Bonds): 2.65 Calc. LogP
(MDL QSAR): -1.08
Company:  Calc. LogP
(KowWin): -1.19

Lines of Data: 2
Anti-HIV Enzyme data: 0

Lines of Data: 44
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NUCLEOSIDES, CARBOCYCLIC; PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: [(1S,3R)-3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-cyclopentyl]-methanol Synonyms
AIDS# 188458
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188458


.BETA.-L 
C12 H16 N4 O  MW: 232.29 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 4 PHIA (Flexible Bonds): 2.66 Calc. LogP
(MDL QSAR): 0.77
Company:  GLAXO-SMITH-KLINE Calc. LogP
(KowWin): 1.37

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: PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: [(1R,3S)-3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-cyclopentyl]-methanol Synonyms
AIDS# 188467
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188467


.BETA.-D 
C12 H16 N4 O  MW: 232.29 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 4 PHIA (Flexible Bonds): 2.66 Calc. LogP
(MDL QSAR): 0.77
Company:  GLAXO-SMITH-KLINE Calc. LogP
(KowWin): 1.37

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: PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: (+/-)-2-Amino-3,4-dihydro-7-[(1-.alpha.,2-.alpha.,3-.beta.,4-.alpha.)-2,3-dihydroxy-4-(hydroxymethyl)-1-cyclopetyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one Synonyms
AIDS# 190754
Click For Structure Based Search Links to ChemID Plus by CAS#

97570-35-9

Links to PubChem by AIDS#

190754


.BETA.-D 
C12 H16 N4 O4  MW: 280.28 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 7 PHIA (Flexible Bonds): 3.28 Calc. LogP
(MDL QSAR): -2.09
Company:  Calc. LogP
(KowWin): -2.27
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 9
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

Chemical Name: (+/-)-2-Amino-3,4-dihydro-7-[(1-.alpha.,2-.beta.,3-.beta.,4-.alpha.)-2,3-dihydroxy-4-(hydroxymethyl)-1-cyclopetyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one Synonyms
AIDS# 190755
Click For Structure Based Search Links to ChemID Plus by CAS#

97643-11-3

Links to PubChem by AIDS#

190755


.BETA.-D 
C12 H16 N4 O4  MW: 280.28 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 7 PHIA (Flexible Bonds): 3.28 Calc. LogP
(MDL QSAR): -2.09
Company:  Calc. LogP
(KowWin): -2.27
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 9
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: PYRROLOPYRIMIDINE CYCLOPENTANE NUCLEOSIDES

 

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