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SummaryGeometryRelated PDB entries

A1C99

Summary
Name:(3P)-6-(4-methylpiperazin-1-yl)-3-(naphthalen-1-yl)-4-(pyridin-4-yl)pyridazine
Formula:C24 H23 N5
Formal charge:0
Formula weight:381.473 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3P)-6-(4-methylpiperazin-1-yl)-3-(naphthalen-1-yl)-4-(pyridin-4-yl)pyridazine
OpenEye OEToolkits3.1.0.06-(4-methylpiperazin-1-yl)-3-naphthalen-1-yl-4-pyridin-4-yl-pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CN1CCN(CC1)c1nnc(c2cccc3ccccc32)c(c1)c1ccncc1
InChIInChI1.06InChI=1S/C24H23N5/c1-28-13-15-29(16-14-28)23-17-22(19-9-11-25-12-10-19)24(27-26-23)21-8-4-6-18-5-2-3-7-20(18)21/h2-12,17H,13-16H2,1H3
InChIKeyInChI1.06OJCPCXKOSKVREV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4cccc5ccccc45
SMILESCACTVS3.385CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4cccc5ccccc45
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN1CCN(CC1)c2cc(c(nn2)c3cccc4c3cccc4)c5ccncc5
SMILESOpenEye OEToolkits3.1.0.0CN1CCN(CC1)c2cc(c(nn2)c3cccc4c3cccc4)c5ccncc5

251801

PDB entries from 2026-04-08

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