FC8

~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine

Created:	2018-06-19
Last modified:	2018-12-05

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2 entries where FC8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	16

2D diagram of FC8

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Chemical Component Summary
Name	~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
Systematic Name (OpenEye OEToolkits)	~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
Formula	C₁₉ H₂₄ Cl N₇
Molecular Weight	385.894
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12
SMILES	OpenEye OEToolkits	2.0.6	CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N
Canonical SMILES	CACTVS	3.385	CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
InChI	InChI	1.03	InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
InChIKey	InChI	1.03	UTBSBSOBZHXMHI-LSDHHAIUSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL367625
PubChem	2794188
ChEMBL	CHEMBL367625

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.