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Compound Summary

Compound Information

celecoxib

Compound Name:	celecoxib
Compound CID:	2662
Synonyms:	celecoxib 169590-42-5 Celebrex Celebra Onsenal More...
Iupac Name:	4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChI:	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey:	RZEKVGVHFLEQIL-UHFFFAOYSA-N
Canonical Smiles:	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Isomeric Smiles:	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Molecular Weight:	381.4
Molecular Formula:	C17H14F3N3O2S

Compound Structure

2D Structure:

3D Structure:

Computed Properties

celecoxib

Molecular Weight:	381.4
Molecular Formula:	C17H14F3N3O2S
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	3
Heavy Atom Count:	26
Complexity:	577

Synonyms

celecoxib

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celecoxib	celecoxib
184007-95-2	YM 177
1oq5	Spectrum2_001576
4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide	194044-54-7
4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide	4-5-(p-Tolyl)-3-(trifluoromethyl)-1-pyrazolylbenzenesulfonamide
4-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-ylbenzene-1-sulfonamide	4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide

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Experimental Data

celecoxib

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Species	Dosage	Unit	CG Lifespan(AVG/MED days)	TG Lifespan(AVG/MED days)	Lifespan Change(AVG/MED%)	CG Lifespan(MAX days)	TG Lifespan(MAX days)	Lifespan Change(MAX%)	Significant	Strain	Gender	PubMed	Active Label

Species	Dosage	Unit	CG Lifespan(AVG/MED days)	TG Lifespan(AVG/MED days)	Lifespan Change(AVG/MED%)	CG Lifespan(MAX days)	TG Lifespan(MAX days)	Lifespan Change(MAX%)	Significant	Strain	Gender	PubMed	Active Label
Caenorhabditis elegans	50	umol/L	17.15	18.35	7				NS	N2		21348927	Inactive
Caenorhabditis elegans	10	umol/L	17.15	20.59	20.1				S	N2		21348927	Active
Caenorhabditis elegans	50	umol/L	18.07	19.28	6.7				S	N2		21348927	Active
Caenorhabditis elegans	10	umol/L	18.07	21.22	17.4				S	N2		21348927	Active
Caenorhabditis elegans	0.5	umol/L	17.15	18.17	5.9				NS	N2		21348927	Inactive
Caenorhabditis elegans	2	umol/L	16.52	19.73	19.4				S	N2		21348927	Active
Caenorhabditis elegans	2	umol/L	17.15	18.94	10.4				S	N2		21348927	Active
Caenorhabditis elegans	2	umol/L	18.07	20.29	12.3				S	N2		21348927	Active

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Experimental Data Visualization

celecoxib

Statistics Data

celecoxib

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Statistics Data Visualization

celecoxib