4RU

4-aminocinnoline-3-carboxamide

Created:	2015-05-15
Last modified:	2015-07-01

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1 entries where 4RU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of 4RU

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Chemical Component Summary
Name	4-aminocinnoline-3-carboxamide
Systematic Name (OpenEye OEToolkits)	4-azanylcinnoline-3-carboxamide
Formula	C₉ H₈ N₄ O
Molecular Weight	188.186
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(c2nnc1ccccc1c2N)=O
SMILES	CACTVS	3.385	NC(=O)c1nnc2ccccc2c1N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(c(nn2)C(=O)N)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1nnc2ccccc2c1N
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(c(nn2)C(=O)N)N
InChI	InChI	1.03	InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
InChIKey	InChI	1.03	FCYPWSQPDXUBPV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2814562
ChEMBL	CHEMBL449216

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.