983366

Source:http://linkedlifedata.com/resource/chembl/compound/983366

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:7963
chemicalCompound:standardIn...	InChI=1S/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...	QLTXKCWMEZIHBJ-WLHGVMLRSA-N
chemicalCompound:canonicalS...	CC12NC(Cc3ccccc13)c4ccccc24.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...	C20H19NO4
chemicalCompound:moleculeId	983366
chemicalCompound:mwFreebase	221.297
chemicalCompound:alogp	3.041
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.004
chemicalCompound:acdLogD	2.341
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.369
chemicalCompound:acdMostBpk...	7.958
chemicalCompound:chemblId	CHEMBL1559482
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1083366
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3635952, activity:3645380, activity:3988964, activity:4278652, activity:4535959, activity:4746028, activity:4929756, activity:7441914, activity:10297856