LI7

(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE

Created:2005-03-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12
2D diagram of LI7

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Chemical Component Summary

Name(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
Systematic Name (OpenEye OEToolkits)(3Z)-3-(4-hydroxyphenyl)imino-1H-indol-2-one
FormulaC14 H10 N2 O2
Molecular Weight238.241
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3C(=N/c1ccc(O)cc1)\c2ccccc2N3
SMILESCACTVS3.341Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=Nc3ccc(cc3)O)C(=O)N2
Canonical SMILESCACTVS3.341 Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2
InChIInChI1.03 InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)
InChIKeyInChI1.03 ZJASRZFZRYISET-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03650 
Name(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One
Groups experimental
Synonyms(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Serine/threonine-protein kinase pim-1MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 611002, 135406167