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Chemical Name: (+/-)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one Synonyms

  • R 14458
  • R14458
AIDS# 000540
Click For Structure Based Search Links to ChemID Plus by CAS#

131613-15-5

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000540


RACEMIC MIXTURE 
C14 H17 N3 O  MW: 243.31 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 4 PHIA (Flexible Bonds): 2.78 Calc. LogP
(MDL QSAR): 1.76
Company:  JANSSEN Calc. LogP
(KowWin): 1.94

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:    4                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TIBO ANALOGS; ALLYL COMPOUNDS; BENZODIAZEPINES

 

Chemical Name: S-(+)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one Synonyms

  • R78304
AIDS# 000541
Click For Structure Based Search Links to ChemID Plus by CAS#

126233-91-8

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000541


S-(+)-ISOMER 
C14 H17 N3 O  MW: 243.31 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 4 PHIA (Flexible Bonds): 2.78 Calc. LogP
(MDL QSAR): 1.76
Company:  JANSSEN Calc. LogP
(KowWin): 1.94

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:    4                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TIBO ANALOGS; ALLYL COMPOUNDS; BENZODIAZEPINES

 

Chemical Name: Uridine, 3'-azido-2',3'-dideoxy-5-(2-propenyloxy)- Synonyms

  • 3'-Azido-2', 3'-dideoxy-5-(2-propenoxyl)uridine
  • 3'-N3-5-(2-propenoxyl)ddU
AIDS# 000936
Click For Structure Based Search Links to ChemID Plus by CAS#

111495-94-4

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000936


.BETA.-D 
C12 H15 N5 O5  MW: 309.28 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 10 PHIA (Flexible Bonds): 5.39 Calc. LogP
(MDL QSAR): -0.28
Company:  YALE UNIV Calc. LogP
(KowWin): -7.46

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: PYRIMIDINE DIDEOXYNUCLEOSIDES; NUCLEOSIDES, AZIDO; ALLYL COMPOUNDS

 

Chemical Name: 3'-Allyl-3'-deoxythymidine Synonyms

  • 3'-Allyl-ddT
AIDS# 001086
Click For Structure Based Search Links to ChemID Plus by CAS#

120232-10-2

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001086


.BETA.-D 
C13 H18 N2 O4  MW: 266.3 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 6 PHIA (Flexible Bonds): 4.26 Calc. LogP
(MDL QSAR): 0.05
Company:  ROCHE Calc. LogP
(KowWin): 0.69

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: PYRIMIDINE DIDEOXYNUCLEOSIDES; ALLYL COMPOUNDS

 

Chemical Name: 3'-Allyl-2',3'-dideoxycytidine Synonyms

  • 3'-Allyl-ddC
AIDS# 001092
Click For Structure Based Search Links to ChemID Plus by CAS#

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001092


 
C12 H17 N3 O3  MW: 251.28 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 6 PHIA (Flexible Bonds): 4.03 Calc. LogP
(MDL QSAR): 0.61
Company:  ROCHE Calc. LogP
(KowWin): -0.46

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: PYRIMIDINE DIDEOXYNUCLEOSIDES; ALLYL COMPOUNDS

 

Chemical Name: R-(-)-4,5,6,7,-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one Synonyms

  • R78304
AIDS# 001246
Click For Structure Based Search Links to ChemID Plus by CAS#

126233-92-9

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001246


R-(-)-ISOMER 
C14 H17 N3 O  MW: 243.31 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 4 PHIA (Flexible Bonds): 2.78 Calc. LogP
(MDL QSAR): 1.76
Company:  JANSSEN Calc. LogP
(KowWin): 1.94

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:    4                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TIBO ANALOGS; ALLYL COMPOUNDS; BENZODIAZEPINES

 

Chemical Name: 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, (+/-) Synonyms

  • 1-[(1-Methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-2-propanol
  • Oxprenolol Ba 39089 (*hydrochloride*)
  • CIBA 39089Ba
  • dl-Alprenolol
  • dl-Oxprenolol
  • Coretal (*hydrochloride*)
  • Laracor (*hydrochloride*)
  • Slow-Pren (*hydrochloride*)
  • Trasacor (*hydrochloride*)
  • Trasicor (*hydrochloride*)
  • Trasicor 80
AIDS# 001596
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6452-71-76452-73-9 [HYDROCHLORIDE]

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001596


HCL; (+/-); 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3-[2-(2-PROPENYLOXY)PHENOXY]-, HYDROCHLORIDE, (2R)- = CAS 29208-41-1 
C15 H23 N O3  MW: 265.35 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 4 PHIA (Flexible Bonds): 7.37 Calc. LogP
(MDL QSAR): 2.04
Company:  CIBA-GEIGY Calc. LogP
(KowWin): 1.83

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: PHENOLS; ALLYL COMPOUNDS

 

Chemical Name: 2-Methoxy-4-(3-propenyl)phenol Synonyms

  • Eugenol
AIDS# 002235
Click For Structure Based Search Links to ChemID Plus by CAS#

97-53-0

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002235


 
C10 H12 O2  MW: 164.2 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 2 PHIA (Flexible Bonds): 3.02 Calc. LogP
(MDL QSAR): 2.53
Company:  Calc. LogP
(KowWin): 2.73
Anti-HIV Cellular data: 0

Lines of Data: 1

Lines of Data: 13
TB Min MIC

>  128  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0

Number of References: 1

Number of References: 4
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; NATURAL PRODUCTS; ALLYL COMPOUNDS

 

Chemical Name: 5,5'-Di-2-propenyl-[1,1'-biphenyl]-2,2'-diol Synonyms

  • Magnolol
  • 2, 2'-Bichavicol
  • Dehydrodichavicol
AIDS# 002239
Click For Structure Based Search Links to ChemID Plus by CAS#

528-43-8

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002239


ISOLATED FROM MAGNOLIA OFFICNALIS; PART USED: BARK 
C18 H18 O2  MW: 266.34 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 2 PHIA (Flexible Bonds): 4.51 Calc. LogP
(MDL QSAR): 4.43
Company:  Calc. LogP
(KowWin): 5.58

Lines of Data: 1

Lines of Data: 1

Lines of Data: 8
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 1

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NATURAL PRODUCTS; ANTI-INFLAMMATORIES, NON-STEROIDAL; ALLYL COMPOUNDS; BIPHENYLS

 

Chemical Name: {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl- Synonyms

  • Honokiol
AIDS# 002243
Click For Structure Based Search Links to ChemID Plus by CAS#

35354-74-6

Links to PubChem by AIDS#

002243


 
C18 H18 O2  MW: 266.34 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 2 PHIA (Flexible Bonds): 4.51 Calc. LogP
(MDL QSAR): 4.15
Company:  Calc. LogP
(KowWin): 5.58

Lines of Data: 1

Lines of Data: 1

Lines of Data: 8
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 1

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: NATURAL PRODUCTS; ALLYL COMPOUNDS; BIPHENYLS

 

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