General Information of the Compound
Compound ID
CP0099743
Compound Name
(6R,7R)-7-((R)-2-Amino-2-phenyl-acetylamino)-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms
7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta (sup 3)-cephem-4-carboxylic acid
7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta3-cephem-4-carboxylic acid
7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid
Adcadina
Ades[prex
Alcephin
Alexin
Alsporin
Ambal
Aristosporin
Azabort
Bactopenor
Beliam
Biocef
CEX
Carnosporin
Cefa-iskia
Cefablan
Cefacet
Cefadal
Cefadin
Cefadina
Cefalekey
Cefaleksin
Cefalessina
Cefalessina [DCIT]
Cefalexgobens
Cefalexin
Cefalexin (JP15)
Cefalexin Scand Pharm
Cefalexin Sodium
Cefalexin generics
Cefalexin hydrate
Cefalexin monohydrate
Cefalexin.H2O
Cefalexina
Cefalexina Northia
Cefalexina Richet
Cefalexina [INN-Spanish]
Cefalexine
Cefalexine [INN-French]
Cefalexinum
Cefalexinum [INN-Latin]
Cefalin
Cefalival
Cefaloto
Cefaseptin
Cefax
Ceffanex
Cefibacter
Ceflax
Ceforal
Cefovit
Celexin
Cepastar
Cepexin
Cephacillin
Cephalex von ct
Cephalexin
Cephalexin (anhydrous)
Cephalexin 1-hydrate
Cephalexin 1-wasser
Cephalexin [USAN:BAN]
Cephalexin hydrate
Cephalexin monohydrate
Cephalexin(USP)
Cephalexin, (6R-(6alpha,7beta))-Isomer
Cephalexin.H2O
Cephalexine
Cephalexinum
Cephalobene
Cephanasten
Cephaxin
Cephin
Cepol
Ceporex
Ceporex Forte
Ceporexin
Ceporexin-E
Ceporexine
Check
Cophalexin
Cusisporina-Cefalox
Domucef
Doriman
Durantel
Durantel DS
Ed A-Ceph
Efemida
Erocetin
Factagard
Felexin
Fexin
Henina Oral
Ibilex
Ibrexin
Inphalex
KS-1134
Karilexina
Kefalospes
Keflet
Keflex
Keflex (TN)
Kefolan
Keforal
Keftab
Keftab (TN)
Kekrinal
Kidolex
L-Keflex
Lafarine
Larixin
Lenocef
Lexibiotico
Lilly 66873
Loisine
Lonflex
Lopilexin
Losporal
Madlexin
Maksipor
Mamalexin
Mamlexin
Medolexin
Medoxine
Neokef
Neolexina
Noveol
Novolexin
Nufex
Oracef
Oriphex
Oroxin
Ortisporina
Ospexin
Palitrex
Panixine Disperdose
Panixine disperdose (TN)
Pectril
Prindex
Pyassan
Rilexine
Roceph
Roceph Distab
Rogevil
S 6437
SQ 20248
Sanaxin
Sartosona
Sencephalin
Sepexin
Servicef
Servispor
Sialexin
Sinthecillin
Sintolexyn
Sporicef
Sporidex
Sporidex (TN)
Syncl
Syncle
Synecl
Tepaxin
Theratrex
Tokiolexin
Uphalexin
Viosporine
Voxxim
Winlex
Zabytrex
Zozarine
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Structure
Formula
C16H17N3O4S
Molecular Weight
347.396
Canonical SMILES
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O
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InChI
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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InChIKey
ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
CAS
14101-75-8
17692-47-6
Physicochemical Property
logP
0.4449
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
112.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 27447
SID: 14778344
ChEMBL ID
CHEMBL1727
DrugBank ID
DB00567
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06345, Solute carrier family 15 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 49000 nM
   TI
   LI
   LO
   TS
CL000770 SKPT-0193 Cl.2 Rattus norvegicus (Rat)  1
1
Ki = 75000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cephalexin )
Drug Name Cephalexin
Company Eli Lilly
Indication
Bacterial infection
Approved