EM5

4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide

Created:	2018-03-29
Last modified:	2019-03-13

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1 entries where EM5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	6

2D diagram of EM5

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Chemical Component Summary
Name	4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Formula	C₁₅ H₂₂ Cl N₃ O₄ S
Molecular Weight	375.871
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl
SMILES	OpenEye OEToolkits	2.0.6	c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO
InChI	InChI	1.03	InChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23)
InChIKey	InChI	1.03	MDLHQNNKYAWRKZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4176828
PubChem	12698194
ChEMBL	CHEMBL4176828

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.