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0RA

Summary
Name:3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid
Formula:C16 H14 N2 O2
Formal charge:0
Formula weight:266.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid
OpenEye OEToolkits1.7.63-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCc3cccc(c1cc2c(nc1)ncc2)c3
InChIInChI1.03InChI=1S/C16H14N2O2/c19-15(20)5-4-11-2-1-3-12(8-11)14-9-13-6-7-17-16(13)18-10-14/h1-3,6-10H,4-5H2,(H,17,18)(H,19,20)
InChIKeyInChI1.03HMZZTTNTVUPEKW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)CCc1cccc(c1)c2cnc3[nH]ccc3c2
SMILESCACTVS3.370OC(=O)CCc1cccc(c1)c2cnc3[nH]ccc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O

218500

PDB entries from 2024-04-17

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