GK9

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

Created:	2017-12-15
Last modified:	2018-06-27

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1 entries where GK9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	16

2D diagram of GK9

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Chemical Component Summary
Name	1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
Systematic Name (OpenEye OEToolkits)	2-chloranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)furo[3,2-d]pyrimidine
Formula	C₁₆ H₁₄ Cl N₃ O₂
Molecular Weight	315.754
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4
SMILES	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl
Canonical SMILES	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl
InChI	InChI	1.03	InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3
InChIKey	InChI	1.03	OHDPJCAMZXLYKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134611710
ChEMBL	CHEMBL4095025

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