General Information of the Compound
Compound ID
CP0035615
Compound Name
40602
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Synonyms
50-59-9
Ampligram
Betaine cephaloridine
CHEBI:3537
Cefaloridin
Cefaloridina
Cefaloridina [INN-Spanish]
Cefaloridinum
Cefaloridinum [INN-Latin]
Cefalorizin
Ceflorin
Cepaloridin
Cepalorin
Cephalomycine
Cephaloridin
Cephaloridine
Cephaloridinum
Ceporan
Ceporin
Ceporine
Cilifor
Deflorin
Faredina
Glaxoridin
Intrasporin
Keflodin
Keflordin
Kefloridin
Kefspor
Lloncefal
Loridine
N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylate
SCH
Sasperin
Sefacin
UNII-LVZ1VC61HB
Verolgin
Vioviantine
cefaloridine
cephaloridine
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Structure
Formula
C19H17N3O4S2
Molecular Weight
415.496
Canonical SMILES
[O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12
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InChI
InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1
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InChIKey
CZTQZXZIADLWOZ-CRAIPNDOSA-N
CAS
50-59-9
Physicochemical Property
logP
-0.3178
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
93.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 5773
SID: 15254571
ChEMBL ID
CHEMBL316157
DrugBank ID
DB09008
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: PT02209, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 2460 nM
   TI
   LI
   LO
   TS
Protein ID: PT06345, Solute carrier family 15 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000770 SKPT-0193 Cl.2 Rattus norvegicus (Rat)  1
1
Ki = 8500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02208, Solute carrier family 22 member 11
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 3630 nM
   TI
   LI
   LO
   TS
Protein ID: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 740 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cephaloridine )
Drug Name Cephaloridine
Indication
Gram-positive bacterial infection
Withdrawn from market