F9Q

6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

Created:	2018-06-15
Last modified:	2019-06-26

Find Related PDB Entry
1 entries where F9Q 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	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	18

2D diagram of F9Q

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Systematic Name (OpenEye OEToolkits)	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Formula	C₁₅ H₁₁ Cl F N₅
Molecular Weight	315.733
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F
Canonical SMILES	CACTVS	3.385	Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
InChIKey	InChI	1.03	NCWQLHHDGDXIJN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16192
Name	Imaradenant
Groups	investigational
Description	Imaradenant is under investigation in clinical trial NCT03381274 (Oleclumab (MEDI9447) Egfrm NSCLC Novel Combination Study).
Synonyms	Imaradenant
CAS number	1321514-06-0

Related Resource References

Resource Name	Reference
PubChem	86676119

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.