General Information of the Compound
Compound ID
CP0039529
Compound Name
Beepen-VK
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Synonyms
(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(phenyloxy)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carbonyl
2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid
3,3-Dimethyl-7-oxo-6-((phenyloxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN)
6-Phenoxyacetamidopenicillanic acid
Acipen V
Acipen-v
Apocillin
Apopen
Beromycin
Beromycin, Penicillin
Berromycin, Penicillin
Calcipen
Compocillin V
Crystapen V
Distaquaine V
Eskacillian V
Eskacillin V
Fenacilin
Fenospen
Fenossimetilpenicillina
Fenossimetilpenicillina [DCIT]
Fenoximetilpenicilina
Fenoximetilpenicilina [INN-Spanish]
Fenoxymethylpenicillin
Fenoxypen
Meropenin
Oracillin
Oratren
Ospen
P-Mega-Tablinen
PNV
PVA
Pen-Oral
Pen-V
Pen-vee
Penicillin V
Penicillin V (USP)
Penicillin V [USAN]
Penicillin phenoxymethyl
Penicillin, Phenoxymethyl
Phenocillin
Phenomycilline
Phenopenicillin
Phenoximethylpenicillinum
Phenoxomethylpenicillanyl
Phenoxomethylpenicillin
Phenoxymethyl penicillin
Phenoxymethylenepenicillinic acid
Phenoxymethylpenicillanyl
Phenoxymethylpenicillin
Phenoxymethylpenicillin (INN)
Phenoxymethylpenicilline
Phenoxymethylpenicilline [INN-French]
Phenoxymethylpenicillinic acid
Phenoxymethylpenicillinic acid potassium salt
Phenoxymethylpenicillinum
Phenoxymethylpenicillinum [INN-Latin]
Robicillin
Rocilin
Stabicillin
V-Cil
V-Cillin
V-Cillin (TN)
V-Cylina
V-Cyline
V-Tablopen
Vebecillin
Vegacillin
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Structure
Formula
C16H18N2O5S
Molecular Weight
350.396
Canonical SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O
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InChI
InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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InChIKey
BPLBGHOLXOTWMN-MBNYWOFBSA-N
CAS
87-08-1
Physicochemical Property
logP
0.6971
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
95.94
Hydrogen Bond Donor Count
2
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: 6869
SID: 15123754
ChEMBL ID
CHEMBL615
DrugBank ID
DB00417
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: PT06258, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 48600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Penicillin V )
Drug Name Penicillin V
Indication
Bacterial infection
Approved