434206

Source:http://linkedlifedata.com/resource/chembl/compound/434206

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/C23H19N5O2/c24-21(30)19-13-28(17-10-9-14-5-4-6-15(14)11-17)22-18(20(19)29)12-25-23(27-22)26-16-7-2-1-3-8-16/h1-3,7-13H,4-6H2,(H2,24,30)(H,25,26,27)
chemicalCompound:standardIn...	JLTJDHQELMYFGK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)C1=CN(c2ccc3CCCc3c2)c4nc(Nc5ccccc5)ncc4C1=O
chemicalCompound:molecularF...	C23 H19 N5 O2
chemicalCompound:moleculeId	434206
chemicalCompound:mwFreebase	397.429
chemicalCompound:alogp	3.374
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	101.21
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.353
chemicalCompound:acdLogP	1.705
chemicalCompound:acdLogD	1.705
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.429
chemicalCompound:acdMostBpk...	2.886
chemicalCompound:chemblId	CHEMBL271460
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:534206
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:2122136, activity:2122166