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SummaryGeometryRelated PDB entries

6DA

Summary
Name:N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
Formula:C28 H25 N7 O S
Formal charge:0
Formula weight:507.609 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
OpenEye OEToolkits2.0.4~{N}-(2-morpholin-4-ylethyl)-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CNc6nc5c(cc(n4cnc3cnc2c(cc(c1ccccc1)nc2)c34)cc5)s6)N7CCOCC7
InChIInChI1.03InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
InChIKeyInChI1.03WJOPLUBIUOVUKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(CN1CCOCC1)Nc2sc3cc(ccc3n2)n4cnc5cnc6cnc(cc6c45)c7ccccc7
SMILESCACTVS3.385C(CN1CCOCC1)Nc2sc3cc(ccc3n2)n4cnc5cnc6cnc(cc6c45)c7ccccc7
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7

218853

PDB entries from 2024-04-24

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