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TX3

Summary
Name:2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
Formula:C22 H16 Br2 Cl N O3
Formal charge:0
Formula weight:537.628 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
OpenEye OEToolkits1.6.1[2,4-dibromo-6-[[(2-chlorophenyl)carbonylamino]methyl]phenyl] 2-methylbenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Brc2cc(Br)cc(c2OC(=O)c1ccccc1C)CNC(=O)c3ccccc3Cl
SMILES_CANONICALCACTVS3.352Cc1ccccc1C(=O)Oc2c(Br)cc(Br)cc2CNC(=O)c3ccccc3Cl
SMILESCACTVS3.352Cc1ccccc1C(=O)Oc2c(Br)cc(Br)cc2CNC(=O)c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl
SMILESOpenEye OEToolkits1.7.0Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl
InChIInChI1.03InChI=1S/C22H16Br2ClNO3/c1-13-6-2-3-7-16(13)22(28)29-20-14(10-15(23)11-18(20)24)12-26-21(27)17-8-4-5-9-19(17)25/h2-11H,12H2,1H3,(H,26,27)
InChIKeyInChI1.03ZXLLGHNQLPHULK-UHFFFAOYSA-N

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PDB entries from 2026-02-11

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