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SummaryGeometryRelated PDB entries

FMY

Summary
Name:N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline
Formula:C26 H27 F N8 O2
Formal charge:0
Formula weight:502.543 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.14-(3-fluoro-5-morpholin-4-yl-phenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-1H-pyrimidin-2-imine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352Fc1cc(cc(c1)C2=NC(NC=C2)=Nc3ccc(cc3)n4cnc(n4)N5CCOCC5)N6CCOCC6
SMILESCACTVS3.352Fc1cc(cc(c1)C2=NC(NC=C2)=Nc3ccc(cc3)n4cnc(n4)N5CCOCC5)N6CCOCC6
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1N=C2NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6
InChIInChI1.03InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)
InChIKeyInChI1.03AHMHIFXJPSHHPH-UHFFFAOYSA-N

218196

PDB entries from 2024-04-10

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