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Obsolete: LIG

LIG was replaced with 89E on
Summary
Name:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Formula:C15 H11 N3
Formal charge:0
Formula weight:233.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole
OpenEye OEToolkits1.5.03-pyridin-4-yl-2,4-dihydroindeno[3,2-c]pyrazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n4ccc(c1c3c(nn1)c2ccccc2C3)cc4
SMILES_CANONICALCACTVS3.341C1c2ccccc2c3n[nH]c(c13)c4ccncc4
SMILESCACTVS3.341C1c2ccccc2c3n[nH]c(c13)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4
SMILESOpenEye OEToolkits1.5.0c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4
InChIInChI1.03InChI=1S/C15H11N3/c1-2-4-12-11(3-1)9-13-14(17-18-15(12)13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)
InChIKeyInChI1.03NHOACLCXCKJMAK-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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