0WE

N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide

Created:	2012-07-23
Last modified:	2012-09-14

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5 entries where 0WE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	16

2D diagram of 0WE

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Chemical Component Summary
Name	N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
Systematic Name (OpenEye OEToolkits)	N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxidanylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide
Formula	C₂₂ H₂₃ N₃ O₃
Molecular Weight	377.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2Nc1ncc(cc1CC2)CCC(=O)N(C)Cc4oc3ccccc3c4C
SMILES	CACTVS	3.370	CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3
SMILES	OpenEye OEToolkits	1.7.6	Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4
Canonical SMILES	CACTVS	3.370	CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4
InChI	InChI	1.03	InChI=1S/C22H23N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26)
InChIKey	InChI	1.03	WDNCPCMRTFYNIQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	57576874

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.