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SummaryGeometryRelated PDB entries

YJR

Summary
Name:(1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide
Formula:C24 H18 F2 N4 O2
Formal charge:0
Formula weight:432.422 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide
OpenEye OEToolkits2.0.7~{N}-[[2,6-bis(fluoranyl)-4-phenyl-phenyl]methyl]-6-methyl-4-oxidanylidene-1-pyridin-3-yl-pyridazine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(F)c1CNC(=O)C1=NN(c2cnccc2)C(C)=CC1=O)c1ccccc1
InChIInChI1.06InChI=1S/C24H18F2N4O2/c1-15-10-22(31)23(29-30(15)18-8-5-9-27-13-18)24(32)28-14-19-20(25)11-17(12-21(19)26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,28,32)
InChIKeyInChI1.06QGRKCWFQYSUFHT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(F)cc(cc3F)c4ccccc4
SMILESCACTVS3.385CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(F)cc(cc3F)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(cc(cc3F)c4ccccc4)F
SMILESOpenEye OEToolkits2.0.7CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(cc(cc3F)c4ccccc4)F

221716

PDB entries from 2024-06-26

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