0JJ

7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine

Created:2012-01-23
Last modified:  2012-01-23

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count49
Aromatic Bond Count26
2D diagram of 0JJ

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
Systematic Name (OpenEye OEToolkits)7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
FormulaC19 H16 N8 O S
Molecular Weight404.448
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n4n1c(nnc1CNc2c3ncc(OC)cc3ncc2)ccc4c5snc(c5)C
SMILESCACTVS3.370COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1
SMILESOpenEye OEToolkits1.7.6Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC
Canonical SMILESCACTVS3.370 COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC
InChIInChI1.03 InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyInChI1.03 QMWKLCXWSJTEFT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL566685
PubChem 45487870
ChEMBL CHEMBL566685