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124031-03-4 | 2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic acid, 3,5-dihydro-3-oxo-2-phenyl-
CAS No: 124031-03-4 Catalog No: AG000LF6 MDL No:
Product Description
Catalog Number:
AG000LF6
Chemical Name:
2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic acid, 3,5-dihydro-3-oxo-2-phenyl-
CAS Number:
124031-03-4
Molecular Formula:
C15H9N3O3S
Molecular Weight:
311.3153
IUPAC Name:
5-oxo-4-phenyl-10-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C15H9N3O3S/c19-14-10-7-16-13-9(6-11(22-13)15(20)21)12(10)17-18(14)8-4-2-1-3-5-8/h1-7,17H,(H,20,21)
InChI Key:
HBGFUURNRFSZLN-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)c1nn(c(=O)c1c[nH]2)c1ccccc1
NSC Number:
653543
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.315g/mol
Monoisotopic Mass:
311.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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