KZI

5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide

Created:	2010-01-07
Last modified:	2011-06-04

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1 entries where KZI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	2
Bond Count	56
Aromatic Bond Count	12

2D diagram of KZI

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Chemical Component Summary
Name	5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	5-[[(1R,2S)-2-azanylcyclohexyl]amino]-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
Formula	C₁₉ H₂₆ N₆ O₃
Molecular Weight	386.448
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	COc1cc(Nc2nc(N[CH]3CCCC[CH]3N)cnc2C(N)=O)cc(OC)c1
SMILES	OpenEye OEToolkits	1.7.0	COc1cc(cc(c1)OC)Nc2c(ncc(n2)NC3CCCCC3N)C(=O)N
Canonical SMILES	CACTVS	3.352	COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OC)c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N
InChI	InChI	1.03	InChI=1S/C19H26N6O3/c1-27-12-7-11(8-13(9-12)28-2)23-19-17(18(21)26)22-10-16(25-19)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,23,24,25)/t14-,15+/m0/s1
InChIKey	InChI	1.03	QWHIZRAQVGLTOV-LSDHHAIUSA-N

Related Resource References

Resource Name	Reference
PubChem	46174151

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.