tasurgratinib   Click here for help

GtoPdb Ligand ID: 11414

Synonyms: E-7090 | E7090 | Example 22 [WO2014129477A1]
Compound class: Synthetic organic
Comment: The chemical structure for the INN tasurgratinib resolves to E-7090 via PubChem, and is claimed as Example 22 in patent WO2014129477A1 as an inhibitor of FGFR pathway signalling [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 127.18
Molecular weight 587.27
XLogP 2.15
No. Lipinski's rules broken 1
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Canonical SMILES COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC
Isomeric SMILES COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC
InChI 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)
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Molecular structure representations generated using Open Babel