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SummaryGeometryRelated PDB entries

A1CRZ

Summary
Name:(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Formula:C19 H12 Cl N3
Formal charge:0
Formula weight:317.772 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cc(c(nn1)c1ccc2ccccc2c1)c1ccncc1
InChIInChI1.06InChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H
InChIKeyInChI1.06XWQSPVNHITVMSG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
SMILESCACTVS3.385Clc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2cc(ccc2c1)c3c(cc(nn3)Cl)c4ccncc4
SMILESOpenEye OEToolkits3.1.0.0c1ccc2cc(ccc2c1)c3c(cc(nn3)Cl)c4ccncc4

248636

PDB entries from 2026-02-04

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