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Chemical Name: 3-(2-Hydroxyethylidene)-2-[((methoxycarbonyl-2-phenyleythyl)amino)carbonyl]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane Synonyms

  • Clavulanic acid deriv.
AIDS# 003848
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003848


 
C18 H20 N2 O6  MW: 360.36 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 8 PHIA (Flexible Bonds): 5.7 Calc. LogP
(MDL QSAR): 0.46
Company:  Calc. LogP
(KowWin): -1.08

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: PEPTIDOMIMETICS; .BETA.-LACTAMS

 

Chemical Name: 3-(2-Hydroxyethylidene)-2-(benzylleucylphenylalanylcarbonyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane Synonyms

  • Clavulanic acid deriv.
AIDS# 003849
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003849


 
C30 H35 N3 O7  MW: 549.62 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 10 PHIA (Flexible Bonds): 10.21 Calc. LogP
(MDL QSAR): 3.29
Company:  Calc. LogP
(KowWin): 1.62

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: PEPTIDOMIMETICS; .BETA.-LACTAMS

 

Chemical Name: (2S)-N-{(1S)-3-Methyl-1-[(4-oxoazetidin-2-yloxy)methyl]butyl}-2-[(tert-butoxy)carbonylamino]-3,3-dimethylbutanamide Synonyms

  • .beta.-Lactam derivative
AIDS# 007116
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007116


 
C20 H37 N3 O5  MW: 399.53 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 8 PHIA (Flexible Bonds): 8.9 Calc. LogP
(MDL QSAR): 0.92
Company:  BIO-MEGA/BOEHRINGER INGELHEIM Calc. LogP
(KowWin): 1.95
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:    4                     (Score, out of 4)
Classes: .BETA.-LACTAMS

 

Chemical Name: 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, (5R,6S)- Synonyms

  • IMP
  • [5R-[5.alpha., 6.alpha.(R*)]]-6-(1-Hydroxyethyl)-3-[[2- [(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2- ene-2-carboxylic acid monohydrate
  • Imipenem, N-Formimidoyl thienamycin
  • Imipemide
  • MK 0787
  • N-Formimidoylthienamycin
  • Tienamycin
AIDS# 007648
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74431-23-5 [MONOHYDRATE]

64221-86-9 [ANHYDROUS]

Links to PubChem by AIDS#

007648


MONOHYDRATE 
C12 H17 N3 O4 S  MW: 299.35 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 8 PHIA (Flexible Bonds): 4.71 Calc. LogP
(MDL QSAR): -0.07
Company:  MERCK Calc. LogP
(KowWin): -1.17
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 104
TB Min MIC

  2  ug/mL
TB Min IC50

  0.03  ug/mL
 Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 14
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; ANTIBACTERIALS; .BETA.-LACTAMS; MYCINS; ANTIMYCOBACTERIALS

 

Chemical Name: 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((aminocarbonyl)oxy)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, monosodium salt, (5R-(5alpha,6alpha))- Synonyms

  • SCH34343
  • SCH 34343
AIDS# 007652
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95415-91-1

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007652


 
C11 H14 N2 O6 S2  MW: 334.37 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 10 PHIA (Flexible Bonds): 5.2 Calc. LogP
(MDL QSAR): 0.24
Company:  SCHERING PLOUGH Calc. LogP
(KowWin): -1.07
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
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: .BETA.-LACTAMS; CARBAPENEMS; ANTIMYCOBACTERIALS

 

Chemical Name: (4R,5S,6S)-3-[(3S,5S)-5-Dimethylcarbamoylpyrrolidin-3-ylthio]-6-[(R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene- 2-carboxylic acid Synonyms

  • Meropenem
  • SM-7338
  • ICI 194660
  • Meropenem anhydrous
AIDS# 007788
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96036-03-2

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007788


 
C17 H25 N3 O5 S  MW: 383.47 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 9 PHIA (Flexible Bonds): 5.4 Calc. LogP
(MDL QSAR): -0.6
Company:  Calc. LogP
(KowWin): -1.25
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 34
TB Min MIC

  2  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 3
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; CARBAPENEMS; .BETA.-LACTAMS; ANTIMYCOBACTERIALS

 

Chemical Name: 5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro-, inner salt Synonyms

  • Biapenem
  • CL-186815
  • L-627
  • LJC-10627
AIDS# 010844
Click For Structure Based Search Links to ChemID Plus by CAS#

120410-24-4

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010844


 
C15 H20 N4 O4 S  MW: 352.41 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 9 PHIA (Flexible Bonds): 3.9 Calc. LogP
(MDL QSAR): 0.37
Company:  Calc. LogP
(KowWin): -1.12
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: CARBAPENEMS; .BETA.-LACTAMS; ANTIMYCOBACTERIALS

 

Chemical Name: [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid Synonyms

  • Aztreonam
  • Primbactam
  • Azactam

  • NSC646279
AIDS# 013397
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78110-38-0

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013397


 
C13 H17 N5 O8 S2  MW: 435.44 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 14 PHIA (Flexible Bonds): 6.31 Calc. LogP
(MDL QSAR): 1.16
Company:  BRISTOL-MYERS SQUIBB; DURA Calc. LogP
(KowWin): -3.36

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

Lines of Data: 4
TB Min MIC

>  64  ug/mL
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 3
Lipinski:    3                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; ANTIMICROBIALS; .BETA.-LACTAMS

 

Chemical Name: N-[3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide Synonyms

  • NSC650004
AIDS# 015432
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015432


 
C18 H17 Cl N2 O3  MW: 344.8 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 6 PHIA (Flexible Bonds): 5.06 Calc. LogP
(MDL QSAR): 2.87
Company:  Calc. LogP
(KowWin): 2.04

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: .BETA.-LACTAMS

 

Chemical Name: Synonyms

  • Bleomycin Fraction BLM-HPE

  • NSC150862
AIDS# 031105
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031105


 
C55 H81 N17 O22 S2  MW: 1396.47 Links to PubMed by CAS#

H-bond donors: 20 H-bond acceptors: 40 PHIA (Flexible Bonds): 28.64 Calc. LogP
(MDL QSAR): -3.72
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:    1                     (Score, out of 4)
Classes: IMIDAZOLES; PEPTIDOMIMETICS; .BETA.-LACTAMS; MYCINS

 

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