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SummaryGeometryRelated PDB entries

1VG

Summary
Name:2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one
Formula:C16 H10 N4 O2
Formal charge:0
Formula weight:290.276 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one
OpenEye OEToolkits1.7.62-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c4c(OC(=C1)c3ccc(c2nnnn2)cc3)cccc4
InChIInChI1.03InChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)
InChIKeyInChI1.03CDSSKRNFCDQPBZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C1C=C(Oc2ccccc12)c3ccc(cc3)c4[nH]nnn4
SMILESCACTVS3.370O=C1C=C(Oc2ccccc12)c3ccc(cc3)c4[nH]nnn4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4

227344

數據於2024-11-13公開中

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