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2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid

2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid - CAS 478077-98-4

Catalog:	BB026403
Product Name:	2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid
CAS:	478077-98-4
Synonyms:	2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid; 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid
Description:	2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid (CAS# 478077-98-4) is a useful research chemical.
Molecular Weight:	221.28
Molecular Formula:	C11H11NO2S
Canonical SMILES:	CC1=CC=C(N1C2=C(C=CS2)C(=O)O)C
InChI:	InChI=1S/C11H11NO2S/c1-7-3-4-8(2)12(7)10-9(11(13)14)5-6-15-10/h3-6H,1-2H3,(H,13,14)
InChI Key:	CZQNWEPGEWPUHA-UHFFFAOYSA-N
MDL:	MFCD01312401
LogP:	2.85380

Publication Number	Title	Priority Date
US-2018153934-A1	Arsenic trioxide for treatment of pin1-associated disorders	20161202
US-10980835-B2	Arsenic trioxide for treatment of PIN1-associated disorders	20161202
US-10413548-B2	Methods and compositions for the inhibition of Pin1	20120607
US-2015133442-A1	Methods and compositions for the inhibition of pin1	20120607
US-2017304310-A1	Methods and compositions for the inhibition of pin1	20120607

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Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.05104977
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.05104977
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7