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UJ1

Summary
Name:N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:C26 H33 N5 O2
Formal charge:0
Formula weight:447.573 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
OpenEye OEToolkits2.0.7~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-~{N}-[(1~{R})-2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c1c(cccc1C)CC)C(=O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3
InChIInChI1.03InChI=1S/C26H33N5O2/c1-7-18-12-9-11-17(3)23(18)28-25(33)24(19-13-10-14-27-16-19)31(22(32)8-2)21-15-20(29-30-21)26(4,5)6/h9-16,24H,7-8H2,1-6H3,(H,28,33)(H,29,30)/t24-/m1/s1
InChIKeyInChI1.03ATGHYXLOAJYKKJ-XMMPIXPASA-N
SMILES_CANONICALCACTVS3.385CCC(=O)N([C@@H](C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3cc([nH]n3)C(C)(C)C
SMILESCACTVS3.385CCC(=O)N([CH](C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3cc([nH]n3)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C
SMILESOpenEye OEToolkits2.0.7CCc1cccc(c1NC(=O)C(c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C

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PDB entries from 2024-03-27

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