15G

2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

Created:	2012-10-11
Last modified:	2012-11-16

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2 entries where 15G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	17

2D diagram of 15G

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Chemical Component Summary
Name	2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Systematic Name (OpenEye OEToolkits)	2-[2-[[3,4-bis(fluoranyl)phenoxy]methyl]-5-methoxy-pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Formula	C₂₀ H₁₇ F₂ N₃ O₃
Molecular Weight	385.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ccc(OCc3ncc(OC)c(c2cc1C(=O)NCCc1n2)c3)cc4F
SMILES	CACTVS	3.370	COc1cnc(COc2ccc(F)c(F)c2)cc1c3[nH]c4CCNC(=O)c4c3
SMILES	OpenEye OEToolkits	1.7.6	COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F
Canonical SMILES	CACTVS	3.370	COc1cnc(COc2ccc(F)c(F)c2)cc1c3[nH]c4CCNC(=O)c4c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F
InChI	InChI	1.03	InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26)
InChIKey	InChI	1.03	GMIKNOQZLHKCFH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2203563
PubChem	66575095
ChEMBL	CHEMBL2203563

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