609

7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid

Created:	2008-11-04
Last modified:	2011-06-04

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1 entries where 609 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	22

2D diagram of 609

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Chemical Component Summary
Name	7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₉ H₁₀ N₂ O₃
Molecular Weight	314.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5
SMILES	CACTVS	3.341	OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
InChI	InChI	1.03	InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
InChIKey	InChI	1.03	MYKOWOGZBMOVBJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1182777
PubChem	3467590
ChEMBL	CHEMBL1182777
ChEBI	CHEBI:92918

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