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SummaryGeometryRelated PDB entries

A1BV8

Summary
Name:(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one
Formula:C26 H27 Cl N4 O2
Formal charge:0
Formula weight:462.971 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one
OpenEye OEToolkits3.1.0.03-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cccc(n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c(Cl)c1
InChIInChI1.06InChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyInChI1.06NPOXYSJSLYNRSE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCOCCN1C(=O)C(=Cc2cnccc12)c3ccc(cc3Cl)c4cccc(C)n4
SMILESCACTVS3.385CN(C)CCOCCN1C(=O)C(=Cc2cnccc12)c3ccc(cc3Cl)c4cccc(C)n4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C3=O)CCOCCN(C)C
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C3=O)CCOCCN(C)C

250835

PDB entries from 2026-03-18

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