OJR

(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

Created:	2022-05-09
Last modified:	2023-05-24

Find Related PDB Entry
1 entries where OJR 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	65
Chiral Atom Count	0
Bond Count	69
Aromatic Bond Count	17

2D diagram of OJR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Systematic Name (OpenEye OEToolkits)	6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)benzenesulfonamide
Formula	C₂₄ H₃₁ N₇ O₂ S
Molecular Weight	481.614
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(CC2CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nnn5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)CC4CCNCC4)C5CCNCC5
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(CC2CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nnn5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)CC4CCNCC4)C5CCNCC5
InChI	InChI	1.03	InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
InChIKey	InChI	1.03	LHOHTNKBXFSQBC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118257181

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.