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Home > Imidazoles > 301836-35-1
301836-35-1 | 4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzoic acid
CAS No: 301836-35-1 Catalog No: AG007JAJ MDL No:MFCD17779285
Product Description
Catalog Number:
AG007JAJ
Chemical Name:
4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzoic acid
CAS Number:
301836-35-1
Molecular Formula:
C22H15N3O4
Molecular Weight:
385.3722
MDL Number:
MFCD17779285
IUPAC Name:
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzoic acid
InChI:
InChI=1S/C22H15N3O4/c26-22(27)14-6-4-13(5-7-14)21-24-19(20(25-21)16-3-1-2-10-23-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H,24,25)(H,26,27)
InChI Key:
LKZOWZZOQPWIFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccc2c(c1)OCO2)c1ccccn1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.106g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.379g/mol
Monoisotopic Mass:
385.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Identification of novel inhibitors of the transforming growth factor beta1 (TGF-beta1) type 1 receptor (ALK5). | Journal of medicinal chemistry 20020227 |
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