KR8

~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

Created:	2019-06-18
Last modified:	2019-06-26

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1 entries where KR8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	22

2D diagram of KR8

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Chemical Component Summary
Name	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula	C₁₇ H₁₄ N₆
Molecular Weight	302.333
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34
SMILES	OpenEye OEToolkits	2.0.7	CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4
Canonical SMILES	CACTVS	3.385	CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4
InChI	InChI	1.03	InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
InChIKey	InChI	1.03	XYEFJKRTJUALOK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6539360
ChEMBL	CHEMBL360866

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