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SummaryGeometryRelated PDB entries

0MS

Summary
Name:[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Formula:C21 H20 Br Cl N4 O2
Formal charge:0
Formula weight:475.766 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H20BrClN4O2/c1-13-11-15(22)12-24-20(13)26-7-9-27(10-8-26)21(28)18-14(2)29-25-19(18)16-5-3-4-6-17(16)23/h3-6,11-12H,7-10H2,1-2H3
InChIKeyInChI1.03FJRSKYVUWHZUJT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1onc(c2ccccc2Cl)c1C(=O)N3CCN(CC3)c4ncc(Br)cc4C
SMILESCACTVS3.370Cc1onc(c2ccccc2Cl)c1C(=O)N3CCN(CC3)c4ncc(Br)cc4C
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br
SMILESOpenEye OEToolkits1.7.6Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br

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건을2024-07-17부터공개중

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