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A1CD3

Summary
Name:N-cyclohexyl-N'-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}sulfuric diamide
Formula:C18 H23 N5 O4 S
Formal charge:0
Formula weight:405.471 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-cyclohexyl-N'-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}sulfuric diamide
OpenEye OEToolkits3.1.0.0~{N}-(cyclohexylsulfamoyl)-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(NC1CCCCC1)Nc1noc2cc(cc(OC)c21)Cn1cccn1
InChIInChI1.06InChI=1S/C18H23N5O4S/c1-26-15-10-13(12-23-9-5-8-19-23)11-16-17(15)18(20-27-16)22-28(24,25)21-14-6-3-2-4-7-14/h5,8-11,14,21H,2-4,6-7,12H2,1H3,(H,20,22)
InChIKeyInChI1.06BRBZKBNMIOTTBB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(Cn2cccn2)cc3onc(N[S](=O)(=O)NC4CCCCC4)c13
SMILESCACTVS3.385COc1cc(Cn2cccn2)cc3onc(N[S](=O)(=O)NC4CCCCC4)c13
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cc(cc2c1c(no2)NS(=O)(=O)NC3CCCCC3)Cn4cccn4
SMILESOpenEye OEToolkits3.1.0.0COc1cc(cc2c1c(no2)NS(=O)(=O)NC3CCCCC3)Cn4cccn4

250359

PDB entries from 2026-03-11

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