General Information of the Compound
Compound ID
CP0651108
Compound Name
SID50104199
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Synonyms
1,2-Diphenyl-2,3-dioxo-4-N-butylpyrazoline
1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine
1,2-Diphenyl-4-butyl-3,5-dioxopyrazolidine
1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione
1,2-diphenyl-3,5-dioxo-4-n-butylpyrazoline
3,5-Dioxe-4 buty-1, diphenyl-pyrazolidine
3,5-Dioxo-1,2-diphenyl-4-N-butylpyrazolidine
3,5-Dioxo-1,2-diphenyl-4-n-butyl-pyrazolidin
3,5-dioxo-4-butyl-1-diphenyl-pyrazolidine
4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine
4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
4-Butyl-1,2-diphenylpyrazolidine-3,5-dione
4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
A 7514
AZOLID (TN)
Alindor
Alka Butazolidin
Alkabutazona
Alqoverin
Anerval
Anpuzone
Antadol
Anuspiramin
Apo-Phenylbutazone
Art rizin
Arthrizon
Artizin
Artrizin
Artrizone
Artropan
Azdid
Azobutyl
Azolid
B.T.Z
B.t.zBenzone
Betazed
Bizolin
Bizolin 200
Bunetzone
Busone
Buta phen
Butacompren
Butacote
Butadion
Butadiona
Butadione
Butadionum
Butagesic
Butalgina
Butalidon
Butaluy
Butaphen
Butapirazol
Butapirazole
Butapyrazole
Butarecbon
Butartril
Butartrina
Butatron
Butazina
Butazolidin
Butazolidine
Butazona
Bute
Bute, Butazolidin, Butatron, Phenylbutazone
Butidiona
Butiwas-Simple
Butone
Butoz
Butyl pyrin
Butylpyrin
Buvetzone
Buzon;Chembutazone
Component of Azolid-A
Cotylbutazone
DA-192
Digibutina
Diossidone
Diozol
Diphebuzol
Diphenylbutazone
Ecobutazone
Elmedal
Equi bute
Equipalazone
Equiphen
Eributazone
Esteve
Exrheudon N
Fe nilbutine
Febuzina
Fenartil
Fenibutal
Fenibutasan
Fenibutazona
Fenibutol
Fenilbutazon
Fenilbutazona
Fenilbutazona [INN-Spanish]
Fenilbutazone
Fenilbutazone [DCIT]
Fenilbutina
Fenilbutine
Fenilidina
Fenotone
Fenylbutazon
Flexazone
G 13,871
G 13871
Ia-But
Intalbut
Intrabutazone
Intrazone
Ipsoflame
Kadol
Lingel
Malgesic
Mepha-Butazon
Mephabutazon
Mephabutazone
Merizone
Nadazone
Nadozone
Neo-zoline
Novophenyl
P 8386
P1686
P1Z
Phebuzin
Phebuzine
Phen-Buta-Vet
Phenbutazol
Phenbutazone
Phenopyrine
Phenyl butazone
Phenyl-Mobuzon
Phenylbutaz
Phenylbutazon
Phenylbutazon [German]
Phenylbutazone
Phenylbutazone (JP15/USP/INN)
Phenylbutazone [USAN:INN:BAN:JAN]
Phenylbutazonum
Phenylbutazonum [INN-Latin]
Phenyzene
Phenyzone
Pirarreumol B
Praecirheumin
Pyrabutol
Pyrazolidin
R-3-ZON
Rectofasa
Reudo
Reudox
Reumasyl
Reumazin
Reumazol
Reumune
Reumuzol
Reupolar
Robizon-V
Robizone
Robizone-V
Rubatone
Scanbutazone
Schemergen
Schemergin
Shigrodin
Tazone
Tencodyne
Tetnor
Tevcodyne
Therazone
Ticinil
Todalgil
Usaf ge-15
Uzone
VAC-10
Wescozone
Zolaphen
Zolidinum
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Structure
Formula
C19H20N2O2
Molecular Weight
308.381
Canonical SMILES
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
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InChI
InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
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InChIKey
VYMDGNCVAMGZFE-UHFFFAOYSA-N
CAS
4297-92-1
50-33-9
Physicochemical Property
logP
3.7878
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 4781
SID: 14898740
ChEMBL ID
CHEMBL101
DrugBank ID
DB00812
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2
 Cell Line Info 
Drosophila melanogaster (Fruit fly)  1
1
Ki = 34700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phenylbutazone )
Drug Name Phenylbutazone
Indication
Chronic pain
Approved
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
 Target Info 
Inhibitor