5G5

4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol

Created:	2015-09-22
Last modified:	2016-05-04

Find Related PDB Entry
1 entries where 5G5 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	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

2D diagram of 5G5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
Systematic Name (OpenEye OEToolkits)	4-[N-(2-chlorophenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
Formula	C₁₉ H₁₄ Cl N O₂
Molecular Weight	323.773
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1c(cccc1)\N=C(\c2ccc(O)cc2)c3ccc(cc3)O
SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl
InChI	InChI	1.03	InChI=1S/C19H14ClNO2/c20-17-3-1-2-4-18(17)21-19(13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,22-23H
InChIKey	InChI	1.03	KCIOZMOTULBIRT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3234617
PubChem	136046131
ChEMBL	CHEMBL3234617

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.