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SummaryGeometryRelated PDB entries

A1B7S

Summary
Name:(3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine
Formula:C23 H21 N5
Formal charge:0
Formula weight:367.446 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine
OpenEye OEToolkits3.1.0.03-naphthalen-2-yl-6-piperazin-1-yl-4-pyridin-4-yl-pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52n1nc(cc(c2ccncc2)c1c1cc2ccccc2cc1)N1CCNCC1
InChIInChI1.06InChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2
InChIKeyInChI1.06QUHUYHMRDJMTMH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CN(CCN1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILESCACTVS3.385C1CN(CCN1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2cc(ccc2c1)c3c(cc(nn3)N4CCNCC4)c5ccncc5
SMILESOpenEye OEToolkits3.1.0.0c1ccc2cc(ccc2c1)c3c(cc(nn3)N4CCNCC4)c5ccncc5

247536

PDB entries from 2026-01-14

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