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B7L

Summary
Name:2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
Formula:C17 H12 N4 O4
Formal charge:0
Formula weight:336.302 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
OpenEye OEToolkits2.0.72-[(pyrazolo[1,5-a]pyrimidin-3-ylcarbonylamino)methyl]-1-benzofuran-7-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12
InChIInChI1.03InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24)
InChIKeyInChI1.03BICDHWPHEXMVAT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12
SMILESCACTVS3.385OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4
SMILESOpenEye OEToolkits2.0.7c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4

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PDB entries from 2024-07-17

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