D7N

2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

Created:	2015-04-15
Last modified:	2015-08-12

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2 entries where D7N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	6

2D diagram of D7N

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Chemical Component Summary
Name	2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	2-[1-[4,4-bis(fluoranyl)cyclohexyl]piperidin-4-yl]-6-fluoranyl-3-oxidanylidene-1H-isoindole-4-carboxamide
Formula	C₂₀ H₂₄ F₃ N₃ O₂
Molecular Weight	395.419
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C4CCC(F)(F)CC4)C(=O)c12
SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
Canonical SMILES	CACTVS	3.385	NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C4CCC(F)(F)CC4)C(=O)c12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
InChI	InChI	1.03	InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
InChIKey	InChI	1.03	ARYVAQSYRLZVQD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3606021
PubChem	49843531
ChEMBL	CHEMBL3606021

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.