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SummaryGeometryRelated PDB entries

7QZ

Summary
Name:N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
Formula:C35 H29 F4 N7 O4 S
Formal charge:0
Formula weight:719.708 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
OpenEye OEToolkits2.0.71-[5-[1-(1,1-dipyridin-2-ylethyl)-4-[2,2,2-tris(fluoranyl)ethylsulfonylamino]indol-6-yl]-1-methyl-2-oxidanylidene-pyridin-3-yl]-3-(2-fluorophenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccccc1NC(=O)NC1=CC(=CN(C)C1=O)c1cc2c(ccn2C(C)(c2ccccn2)c2ccccn2)c(c1)NS(=O)(=O)CC(F)(F)F
InChIInChI1.03InChI=1S/C35H29F4N7O4S/c1-34(30-11-5-7-14-40-30,31-12-6-8-15-41-31)46-16-13-24-27(44-51(49,50)21-35(37,38)39)17-22(19-29(24)46)23-18-28(32(47)45(2)20-23)43-33(48)42-26-10-4-3-9-25(26)36/h3-20,44H,21H2,1-2H3,(H2,42,43,48)
InChIKeyInChI1.03RFUGSFUWHIKRES-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C=C(C=C(NC(=O)Nc2ccccc2F)C1=O)c3cc(N[S](=O)(=O)CC(F)(F)F)c4ccn(c4c3)[C@@](C)(c5ccccn5)c6ccccn6
SMILESCACTVS3.385CN1C=C(C=C(NC(=O)Nc2ccccc2F)C1=O)c3cc(N[S](=O)(=O)CC(F)(F)F)c4ccn(c4c3)[C](C)(c5ccccn5)c6ccccn6
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C
SMILESOpenEye OEToolkits2.0.7CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C

223532

PDB entries from 2024-08-07

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