275

Source:http://linkedlifedata.com/resource/chembl/compound/275

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/C21H14FN3O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(26)27/h1-12H,(H,24,25)(H,26,27)
chemicalCompound:standardIn...	LPNSUJMINOXWJC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4
chemicalCompound:molecularF...	C21 H14 F N3 O2
chemicalCompound:moleculeId	275
chemicalCompound:mwFreebase	359.353
chemicalCompound:alogp	4.083
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.87
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.86
chemicalCompound:acdLogP	2.977
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	359.353
chemicalCompound:acdMostBpk...	1.925
chemicalCompound:chemblId	CHEMBL6252
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100275
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:942889, activity:942890, activity:974334, activity:974335