5IQ

ISOQUINOLIN-5-AMINE

Created:	2005-11-18
Last modified:	2020-06-05

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2 entries where 5IQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

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Chemical Component Summary
Name	ISOQUINOLIN-5-AMINE
Synonyms	5-AMINOISOQUINOLINE
Systematic Name (OpenEye OEToolkits)	isoquinolin-5-amine
Formula	C₉ H₈ N₂
Molecular Weight	144.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2ccc1c(cccc1N)c2
SMILES	CACTVS	3.341	Nc1cccc2cnccc12
SMILES	OpenEye OEToolkits	1.5.0	c1cc2cnccc2c(c1)N
Canonical SMILES	CACTVS	3.341	Nc1cccc2cnccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2cnccc2c(c1)N
InChI	InChI	1.03	InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
InChIKey	InChI	1.03	DTVYNUOOZIKEEX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04605
Name	5-Aminoisoquinoline
Groups	experimental
Synonyms	5-Aminoisoquinoline
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	1125-60-6

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Uncharacterized protein	MRKIYIAGPAVFNPDMGASYYNKVRELLKKENVMPLIPTDNEATGALDIR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682