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SummaryGeometryRelated PDB entries

A1CTD

Summary
Name:(3P)-6-(1-methylpiperidin-4-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Formula:C25 H24 N4
Formal charge:0
Formula weight:380.485 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3P)-6-(1-methylpiperidin-4-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
OpenEye OEToolkits3.1.0.06-(1-methylpiperidin-4-yl)-3-naphthalen-2-yl-4-pyridin-4-yl-pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CN1CCC(CC1)c1nnc(c2cc3ccccc3cc2)c(c1)c1ccncc1
InChIInChI1.06InChI=1S/C25H24N4/c1-29-14-10-20(11-15-29)24-17-23(19-8-12-26-13-9-19)25(28-27-24)22-7-6-18-4-2-3-5-21(18)16-22/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3
InChIKeyInChI1.06MSCFDAJGRPMPRU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCC(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILESCACTVS3.385CN1CCC(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN1CCC(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5
SMILESOpenEye OEToolkits3.1.0.0CN1CCC(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5

251422

PDB entries from 2026-04-01

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