9JQ

2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol

Created:	2017-05-26
Last modified:	2018-06-06

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1 entries where 9JQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	18

2D diagram of 9JQ

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Chemical Component Summary
Name	2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
Formula	C₁₈ H₁₄ F₂ N₂ O₂
Molecular Weight	328.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(c1ccc(F)c(O)c1)c2cccc(n2)c3cccc(O)c3F
SMILES	OpenEye OEToolkits	2.0.6	CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O
Canonical SMILES	CACTVS	3.385	CN(c1ccc(F)c(O)c1)c2cccc(n2)c3cccc(O)c3F
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O
InChI	InChI	1.03	InChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3
InChIKey	InChI	1.03	TZILIAOKSRIZHK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4169325
PubChem	134158355
ChEMBL	CHEMBL4169325

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