0J5

(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid

Created:	2012-01-20
Last modified:	2012-01-20

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1 entries where 0J5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

2D diagram of 0J5

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Chemical Component Summary
Name	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-[7-azanyl-4,5-bis(oxidanylidene)-1,6-dihydropyrimido[4,5-c]pyridazin-3-yl]ethanoic acid
Formula	C₈ H₇ N₅ O₄
Molecular Weight	237.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CC1=NNC=2N=C(NC(=O)C=2C1=O)N
SMILES	CACTVS	3.370	NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O
Canonical SMILES	CACTVS	3.370	NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H7N5O4/c9-8-10-6-4(7(17)11-8)5(16)2(12-13-6)1-3(14)15/h1H2,(H,14,15)(H4,9,10,11,13,16,17)
InChIKey	InChI	1.03	JZIQGOZPIKSBKV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56851701, 135566692

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.