9ME

(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone

Created:	2017-06-07
Last modified:	2018-06-06

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1 entries where 9ME is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

2D diagram of 9ME

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Chemical Component Summary
Name	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
Systematic Name (OpenEye OEToolkits)	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
Formula	C₁₆ H₁₀ F N O₂
Molecular Weight	267.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
Canonical SMILES	CACTVS	3.385	Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
InChI	InChI	1.03	InChI=1S/C16H10FNO2/c17-12-7-5-11(9-15(12)19)16(20)14-8-6-10-3-1-2-4-13(10)18-14/h1-9,19H
InChIKey	InChI	1.03	JNWWABLECBACFV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4171902
PubChem	134158358
ChEMBL	CHEMBL4171902

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