General Information of the Compound
Compound ID
CP0207157
Compound Name
CHEBI:3485
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Synonyms
(-)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-oxime
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(2 (2-aminothiazol-4-yl)-2-hydroxyiminoacetamido)-3-vinyl-3-cephem-4-carboxylic acid
7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetamido]-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid
BMY 28488
CFDN
Cefdinir
Cefdinir (JP15/USAN/INN)
Cefdinir [USAN:INN]
Cefdinirum
Cefdinirum [INN-Latin]
Cefdinyl
Cefdirnir
Cefzon
Cefzon (TN)
FK 482
FK-482
FR-80482
KS-1038
Omnicef
Omnicef (TN)
Omnicef, FK-482, BMY-28488, PD 134393, CI-983, Cefdinir
PD 134393
PD-134393
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Structure
Formula
C14H13N5O5S2
Molecular Weight
395.422
Canonical SMILES
Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
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InChI
InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
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InChIKey
RTXOFQZKPXMALH-GHXIOONMSA-N
CAS
91832-40-5
Physicochemical Property
logP
-0.1718
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
158.21
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Complexity
26

"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: 6915944
SID: 12013492
ChEMBL ID
CHEMBL927
DrugBank ID
DB00535
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: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 11600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cefdinir )
Drug Name Cefdinir
Company Abbott Laboratories
Indication
Bacterial infection
Approved