R9W

2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine

Created:	2020-09-21
Last modified:	2020-12-02

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1 entries where R9W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of R9W

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Chemical Component Summary
Name	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
Systematic Name (OpenEye OEToolkits)	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
Formula	C₁₂ H₁₆ N₂
Molecular Weight	188.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1c2CCCCc2nc3CCCc13
SMILES	OpenEye OEToolkits	2.0.7	C1CCc2c(c(c3c(n2)CCC3)N)C1
Canonical SMILES	CACTVS	3.385	Nc1c2CCCCc2nc3CCCc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CCc2c(c(c3c(n2)CCC3)N)C1
InChI	InChI	1.03	InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
InChIKey	InChI	1.03	YLUSMKAJIQOXPV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB13668
Name	Ipidacrine
Groups	experimental
Synonyms	Ipidacrine
Categories	Anti-Dementia Drugs Cholinesterase Inhibitors Heterocyclic Compounds, Fused-Ring Nervous System Psychoanaleptics Quinolines
ATC-Code	N06DA05
CAS number	62732-44-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL130880
PubChem	604519
ChEMBL	CHEMBL130880
ChEBI	CHEBI:125612

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.