HK1

4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol

Created:2012-06-28
Last modified:  2012-06-28

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count42
Aromatic Bond Count17
2D diagram of HK1

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
Systematic Name (OpenEye OEToolkits)4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
FormulaC18 H16 N2 O3
Molecular Weight308.331
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(OC)cc3C4
SMILESCACTVS3.370COc1cc2Cc3c([nH]nc3c2cc1OC)c4ccc(O)cc4
SMILESOpenEye OEToolkits1.7.6COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2
Canonical SMILESCACTVS3.370 COc1cc2Cc3c([nH]nc3c2cc1OC)c4ccc(O)cc4
Canonical SMILESOpenEye OEToolkits1.7.6 COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2
InChIInChI1.03 InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
InChIKeyInChI1.03 YXCSLEHSWRLDHG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL401274
PubChem 135566732
ChEMBL CHEMBL401274