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850717-64-5 | Urea, [2,3-dihydro-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]-
CAS No: 850717-64-5 Catalog No: AG00G7DK MDL No:
Product Description
Catalog Number:
AG00G7DK
Chemical Name:
Urea, [2,3-dihydro-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]-
CAS Number:
850717-64-5
Molecular Formula:
C15H14N4O2
Molecular Weight:
282.2973
IUPAC Name:
[(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]urea
InChI:
InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-
InChI Key:
DFURSNCTQGJRRX-JYRVWZFOSA-N
SMILES:
NC(=O)Nc1ccc2c(c1)C(=C(c1ccc[nH]1)C)C(=O)N2
UNII:
SYV8VN8W5K
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
282.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.303g/mol
Monoisotopic Mass:
282.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. | Bioorganic & medicinal chemistry letters 20070715 |
| Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517. | Bioorganic & medicinal chemistry letters 20070715 |
| Properties of the 3-o-methyl-D-glucose transport system in Acholeplasma laidlawii. | Journal of bacteriology 19760101 |
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