NVK

1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

Created:	2019-12-16
Last modified:	2020-01-01

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1 entries where NVK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	21

2D diagram of NVK

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Chemical Component Summary
Name	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Systematic Name (OpenEye OEToolkits)	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Formula	C₁₇ H₁₃ N₅ O₂
Molecular Weight	319.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
Canonical SMILES	CACTVS	3.385	Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
InChI	InChI	1.03	InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKey	InChI	1.03	AKMNUCBQGHFICM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL291536
PubChem	6604926
ChEMBL	CHEMBL291536
ChEBI	CHEBI:92733

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.