KZM

5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

Created:2010-01-12
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count2
Bond Count72
Aromatic Bond Count23
2D diagram of KZM

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Chemical Component Summary

Name5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Systematic Name (OpenEye OEToolkits)5-[[(1R,2S)-2-azanylcyclohexyl]amino]-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)-[1,2,4]triazolo[5,1-f]pyrimidine-8-carboxamide
FormulaC26 H30 N8 O4
Molecular Weight518.568
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352COc1cc(Nc2nc(N[CH]3CCCC[CH]3N)n4nc(nc4c2C(N)=O)c5cccc(O)c5)cc(OC)c1
SMILESOpenEye OEToolkits1.7.0COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)NC4CCCCC4N)c5cccc(c5)O)C(=O)N
Canonical SMILESCACTVS3.352 COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n4nc(nc4c2C(N)=O)c5cccc(O)c5)cc(OC)c1
Canonical SMILESOpenEye OEToolkits1.7.0 COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N
InChIInChI1.03 InChI=1S/C26H30N8O4/c1-37-17-11-15(12-18(13-17)38-2)29-24-21(22(28)36)25-31-23(14-6-5-7-16(35)10-14)33-34(25)26(32-24)30-20-9-4-3-8-19(20)27/h5-7,10-13,19-20,29,35H,3-4,8-9,27H2,1-2H3,(H2,28,36)(H,30,32)/t19-,20+/m0/s1
InChIKeyInChI1.03 JQVIBYQWWUOARA-VQTJNVASSA-N

Related Resource References

Resource NameReference
PubChem 10324311