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SummaryGeometryRelated PDB entries

A1BVL

Summary
Name:5-(pyridin-4-yl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
Formula:C17 H17 N7
Formal charge:0
Formula weight:319.364 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-(pyridin-4-yl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
OpenEye OEToolkits3.1.0.05-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52c1nc(ncc1)N1CCN(CC1)c1cc(cnn1)c1ccncc1
InChIInChI1.06InChI=1S/C17H17N7/c1-4-19-17(20-5-1)24-10-8-23(9-11-24)16-12-15(13-21-22-16)14-2-6-18-7-3-14/h1-7,12-13H,8-11H2
InChIKeyInChI1.06ZCUNPJSEJQKINH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CN(CCN1c2cc(cnn2)c3ccncc3)c4ncccn4
SMILESCACTVS3.385C1CN(CCN1c2cc(cnn2)c3ccncc3)c4ncccn4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cnc(nc1)N2CCN(CC2)c3cc(cnn3)c4ccncc4
SMILESOpenEye OEToolkits3.1.0.0c1cnc(nc1)N2CCN(CC2)c3cc(cnn3)c4ccncc4

251801

PDB entries from 2026-04-08

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