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Chemical Name: Coenzyme A, S-(2-oxopentadecyl)-; S-2-Ketopentadecyl Coenzyme A, Sodium Salt Synonyms

  • S-(2-Oxopentadecyl) CoA

  • NSC618486 (SODIUM SALT)
AIDS# 002158
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121124-66-1

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002158


 
C36 H64 N7 O17 P3 S  MW: 991.92 Links to PubMed by CAS#

H-bond donors: 9 H-bond acceptors: 24 PHIA (Flexible Bonds): 24.08 Calc. LogP
(MDL QSAR): 1.49
Company:  Calc. LogP
(KowWin): -0.37

Lines of Data: 2

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:    1                     (Score, out of 4)
Classes: PURINE RIBONUCLEOTIDES; NUCLEOTIDES, MONOPHOSPHATE; NUCLEOTIDES, DIPHOSPHATE; COENZYMES; NUCLEOTIDES, LIPO

 

Chemical Name: 9-{3,4-Dihydroxy-5-[(methoxy(hydroxyphosphoryl)oxy)methyl]oxolan-2-yl}hydropurin-6-one Synonyms

  • Inosine 5'-methyl ester monophosphate
  • MIMP
AIDS# 004312
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004312


 
C11 H15 N4 O8 P  MW: 362.23 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 11 PHIA (Flexible Bonds): 4.75 Calc. LogP
(MDL QSAR): -2.34
Company:  Calc. LogP
(KowWin): -2.08

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: IMMUNOMODULATORS; NUCLEOTIDES, MONOPHOSPHATE; PURINE RIBONUCLEOTIDES

 

Chemical Name: Phosphoric acid, N6,2'-O-dibutryladenosine 3'-5'-cyclic Synonyms

  • dBcAMP
  • Bucladesine
  • Dibutyrl cylic AMP
AIDS# 006260
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16980-89-5 [SODIUM SALT, MONOHYDRATE]

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006260


.BETA.-D; RIBOFURANYL; SODIUM SALT, MONOHYDRATE 
C18 H24 N5 O8 P  MW: 469.39 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 12 PHIA (Flexible Bonds): 6.89 Calc. LogP
(MDL QSAR): 0.44
Company:  SIGMA Calc. LogP
(KowWin): 0.45

Lines of Data: 3

Lines of Data: 2
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:    3                     (Score, out of 4)
Classes: PURINE RIBONUCLEOTIDES; PHOSPHODIESTERASE INHIBITORS; PHOSPHOLIPASE INHIBITORS; NUCLEOTIDES, LOCKED CONFORMATION; NUCLEOTIDES, MONOPHOSPHATE

 

Chemical Name: Adenosine, 7,8-dihydro-8-oxo-, 5'-(methyl (2-pyrrolidinylcarbonyl)phosphoramidate), (S)- Synonyms

  • Phosmidosine
AIDS# 008558
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134966-01-1

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008558


ISOLATED FROM STREPTOMYCES DURHAMEUSIS 
C16 H24 N7 O8 P  MW: 473.38 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 15 PHIA (Flexible Bonds): 6.76 Calc. LogP
(MDL QSAR): -3.36
Company:  Calc. LogP
(KowWin): -3.36
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 1
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: NUCLEOTIDES, PHOSPHORAMIDATE; PURINE RIBONUCLEOTIDES

 

Chemical Name: Adenosine-3',5'-cyclicmonophosphate Synonyms

  • Cyclic AMP
  • cAMP

  • NSC94017
AIDS# 008698
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60-92-4

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008698


.BETA.-D RIBO 
C10 H12 N5 O6 P  MW: 329.21 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 10 PHIA (Flexible Bonds): 3.15 Calc. LogP
(MDL QSAR): -1.37
Company:  FUJIREBIO Calc. LogP
(KowWin): -2.36

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: PURINE RIBONUCLEOTIDES; NUCLEOTIDES, MONOPHOSPHATE; NUCLEOTIDES, LOCKED CONFORMATION

 

Chemical Name: Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with2-.beta.-D-ribofuranosyl-4-thiazolecarboxamide Synonyms

  • TAD

  • NSC358285
AIDS# 014328
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83285-83-0

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014328


.BETA.-D, RIBO- 
C19 H25 N7 O14 P2 S  MW: 669.46 Links to PubMed by CAS#

H-bond donors: 8 H-bond acceptors: 21 PHIA (Flexible Bonds): 9.41 Calc. LogP
(MDL QSAR): -3.3
Company:  Calc. LogP
(KowWin): -4.27

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:    1                     (Score, out of 4)
Classes: PURINE RIBONUCLEOTIDES; INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITORS; NUCLEOTIDES, DIMER; NUCLEOTIDES, C-; NUCLEOTIDES, DIPHOSPHATE

 

Chemical Name: {[(2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[(2R,3S,4R,5R)-5-(4-carbamoyl-thiazol-2-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester Synonyms

  • .beta.-Methylene TAD

  • NSC617998
AIDS# 014333
Click For Structure Based Search Links to ChemID Plus by CAS#

102977-57-1

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014333


 
C20 H27 N7 O13 P2 S  MW: 667.48 Links to PubMed by CAS#

H-bond donors: 8 H-bond acceptors: 20 PHIA (Flexible Bonds): 9.44 Calc. LogP
(MDL QSAR): -3.53
Company:  Calc. LogP
(KowWin): -1.06

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

Lines of Data: 4
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    1                     (Score, out of 4)
Classes: PURINE RIBONUCLEOTIDES; NUCLEOTIDES, PHOSPHONATE; NUCLEOTIDES, DIMER; NUCLEOTIDES, C-

 

Chemical Name: 9H-Purin-6-amine, 9-(5-O-phosphono-.beta.-D-ribofuranosyl)-; Adenosine-5'-monophosphate Synonyms

  • AMP
  • 5'-Adenylic acid
  • 5'-AMP

  • NSC20264
AIDS# 021665
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61-19-8

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021665


.BETA.-D-RIBO; OR MONOHYDRATE 
C10 H14 N5 O7 P  MW: 347.22 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 11 PHIA (Flexible Bonds): 4.27 Calc. LogP
(MDL QSAR): -2.85
Company:  Calc. LogP
(KowWin): -1.68

Lines of Data: 3

Lines of Data: 3

Lines of Data: 4
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3

Number of References: 3

Number of References: 1
Lipinski:    3                     (Score, out of 4)
Classes: PURINE RIBONUCLEOTIDES; NUCLEOTIDES, MONOPHOSPHATE

 

Chemical Name: Adenosine-5'-hexadecylphosphonophosphate Synonyms

  • C16PAMP

  • NSC672971 (SODIUM SALT)
AIDS# 027295
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027295


DISODIUM SALT; DIHYDRATE; .BETA.-D 
C26 H47 N5 O9 P2  MW: 635.63 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 13 PHIA (Flexible Bonds): 14.61 Calc. LogP
(MDL QSAR): 0.8
Company:  Calc. LogP
(KowWin): 4.79

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: PURINE RIBONUCLEOTIDES; NUCLEOTIDES, DIPHOSPHATE; NUCLEOTIDES, LIPO

 

Chemical Name: Adenosine-5'-(2-chloro-3-hexadecyloxypropyl-1)-diphosphate (67ADP) Synonyms

  • NSC669264 (SODIUM SALT)
AIDS# 027297
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027297


DISODIUM SALT; DIHYDRATE 
C29 H52 Cl N5 O11 P2  MW: 744.16 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 16 PHIA (Flexible Bonds): 18.52 Calc. LogP
(MDL QSAR): 1.27
Company:  Calc. LogP
(KowWin): 5.18

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:    2                     (Score, out of 4)
Classes: PURINE RIBONUCLEOTIDES; NUCLEOTIDES, DIPHOSPHATE; NUCLEOTIDES, LIPO

 

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