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SummaryGeometryRelated PDB entries

MWL

Summary
Name:3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
Formula:C23 H21 N7
Formal charge:0
Formula weight:395.46 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
OpenEye OEToolkits1.7.63-phenyl-4-pyridin-4-yl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1cccnc1N5CCN(c4nnc(c2ccccc2)c(c3ccncc3)c4)CC5
InChIInChI1.03InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
InChIKeyInChI1.03OAXXZZBGZDNSGE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5
SMILESCACTVS3.370C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5

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건을2024-07-24부터공개중

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