A1LY1

Tasurgratinib

Created:2024-03-12
Last modified:  2024-06-12

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Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count0
Bond Count84
Aromatic Bond Count22
2D diagram of A1LY1

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Chemical Component Summary

NameTasurgratinib
SynonymsE-7090
Systematic Name (OpenEye OEToolkits)5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]carbonylamino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-~{N}-methyl-indole-1-carboxamide
FormulaC32 H37 N5 O6
Molecular Weight587.666
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12
SMILESOpenEye OEToolkits2.0.7CNC(=O)n1ccc2c1cc(c(c2)Oc3ccnc(c3)NC(=O)c4ccc(cc4)C5CCN(CC5)CCO)OCCOC
Canonical SMILESCACTVS3.385 CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)n1ccc2c1cc(c(c2)Oc3ccnc(c3)NC(=O)c4ccc(cc4)C5CCN(CC5)CCO)OCCOC
InChIInChI1.06 InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)
InChIKeyInChI1.06 IBHOLSBDZMIPPT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3686884
PubChem 78323434
ChEMBL CHEMBL3686884