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SummaryGeometryRelated PDB entries

66L

Summary
Name:N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Formula:C31 H29 F2 N5 O5
Formal charge:0
Formula weight:589.589 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
OpenEye OEToolkits2.0.4~{N}1'-[3-fluoranyl-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1COCCN1CCOc2cc3c(cn2)c(ccn3)Oc4ccc(cc4F)NC(C6(C(=O)Nc5ccc(F)cc5)CC6)=O
InChIInChI1.03InChI=1S/C31H29F2N5O5/c32-20-1-3-21(4-2-20)36-29(39)31(8-9-31)30(40)37-22-5-6-27(24(33)17-22)43-26-7-10-34-25-18-28(35-19-23(25)26)42-16-13-38-11-14-41-15-12-38/h1-7,10,17-19H,8-9,11-16H2,(H,36,39)(H,37,40)
InChIKeyInChI1.03GGMOWJSRHCAARI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ncc45)c(F)c3)cc1
SMILESCACTVS3.385Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ncc45)c(F)c3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F
SMILESOpenEye OEToolkits2.0.4c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F

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數據於2024-07-10公開中

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