HFK

2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one

Created:	2018-12-05
Last modified:	2019-01-23

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13 entries where HFK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	10

2D diagram of HFK

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Chemical Component Summary
Name	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
Systematic Name (OpenEye OEToolkits)	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
Formula	C₂₀ H₂₂ N₄ O₂
Molecular Weight	350.414
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O
Canonical SMILES	CACTVS	3.385	O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O
InChI	InChI	1.03	InChI=1S/C20H22N4O2/c25-15-9-6-8-14-17(15)20(11-4-1-5-12-20)24-18(21-14)23-19-22-13-7-2-3-10-16(13)26-19/h2-3,7,10H,1,4-6,8-9,11-12H2,(H2,21,22,23,24)
InChIKey	InChI	1.03	AZBGHUMVHJKFOO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1294862
ChEMBL	CHEMBL1325876

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.