XXK

3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol

Created:	2013-06-18
Last modified:	2014-01-01

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1 entries where XXK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	21

2D diagram of XXK

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Chemical Component Summary
Name	3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
Systematic Name (OpenEye OEToolkits)	3-azanyl-5-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol
Formula	C₁₉ H₁₇ N₅ O₃
Molecular Weight	363.37
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5
SMILES	CACTVS	3.370	Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1
Canonical SMILES	CACTVS	3.370	Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1
InChI	InChI	1.03	InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2
InChIKey	InChI	1.03	GLRIVBFMSWURTM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3109185
PubChem	72376504
ChEMBL	CHEMBL3109185

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.