929696

Source:http://linkedlifedata.com/resource/chembl/compound/929696

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H15N3O7/c1-2-27-17-20-18(28-13-7-3-5-11(9-13)15(23)24)22-19(21-17)29-14-8-4-6-12(10-14)16(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
chemicalCompound:standardIn...	HMAVMGYVGLNEKY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc(Oc2cccc(c2)C(=O)O)nc(Oc3cccc(c3)C(=O)O)n1
chemicalCompound:molecularF...	C19H15N3O7
chemicalCompound:moleculeId	929696
chemicalCompound:mwFreebase	397.338
chemicalCompound:alogp	4.221
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	140.95
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.592
chemicalCompound:acdLogP	4.147
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	397.338
chemicalCompound:acdMostBpk...	0.451
chemicalCompound:chemblId	CHEMBL1505812
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1029696
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:4246556, activity:4673031, activity:5474789