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15966-93-5 | 1H-Pyrrole-3-carboxylic acid, 5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-, ethyl ester
CAS No: 15966-93-5 Catalog No: AG001RB2 MDL No:
Product Description
Catalog Number:
AG001RB2
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-, ethyl ester
CAS Number:
15966-93-5
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
ethyl 2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)
InChI Key:
PMUJUSJUVIXDQC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cccc2
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| t(8;21) acute myeloid leukaemia cells are dependent on vascular endothelial growth factor (VEGF)/VEGF receptor type2 pathway and phosphorylation of Akt. | British journal of haematology 20061201 |
| Synthesis and biological evaluations of 3-substituted indolin-2-ones: a novel class of tyrosine kinase inhibitors that exhibit selectivity toward particular receptor tyrosine kinases. | Journal of medicinal chemistry 19980702 |
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