3GF

6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine

Created:	2014-08-15
Last modified:	2015-02-25

Find Related PDB Entry
1 entries where 3GF 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	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	23

2D diagram of 3GF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Systematic Name (OpenEye OEToolkits)	6-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-4-pyridin-4-yl-pyridazine
Formula	C₂₄ H₂₃ N₅
Molecular Weight	381.473
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4nc(c2cc1ccccc1cc2)c(c3ccncc3)cc4N5CCN(C)CC5
SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILES	OpenEye OEToolkits	1.7.6	CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5
InChI	InChI	1.03	InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
InChIKey	InChI	1.03	CIIVUDIZZJLXCN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86270361
ChEMBL	CHEMBL4129018
CCDC/CSD	DIDDIG, DIDDIG01

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.