CJK

1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

Created:	2017-11-28
Last modified:	2018-10-10

Find Related PDB Entry
1 entries where CJK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	12

2D diagram of CJK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Systematic Name (OpenEye OEToolkits)	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula	C₁₅ H₁₇ N₃ O₄ S
Molecular Weight	335.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(CNC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)cc1
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(CNC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H17N3O4S/c1-10-2-4-11(5-3-10)9-17-15(20)18-13-8-12(23(16,21)22)6-7-14(13)19/h2-8,19H,9H2,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKey	InChI	1.03	WPPWDFYGZHFOAE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4294703
PubChem	134817796
ChEMBL	CHEMBL4294703

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.