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6Q8

Summary
Name:~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide
Formula:C20 H18 F N5 O3 S
Formal charge:0
Formula weight:427.452 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H18FN5O3S/c1-11-18(20(27)24-15-7-4-14(21)5-8-15)23-12(2)19(11)30(28,29)26-16-6-3-13-10-22-25-17(13)9-16/h3-10,23,26H,1-2H3,(H,22,25)(H,24,27)
InChIKeyInChI1.03LWWWROAXBQFQIU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c(c(C)c1[S](=O)(=O)Nc2ccc3c[nH]nc3c2)C(=O)Nc4ccc(F)cc4
SMILESCACTVS3.385Cc1[nH]c(c(C)c1[S](=O)(=O)Nc2ccc3c[nH]nc3c2)C(=O)Nc4ccc(F)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3
SMILESOpenEye OEToolkits2.0.5Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3

223166

PDB entries from 2024-07-31

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