329380

Source:http://linkedlifedata.com/resource/chembl/compound/329380

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/C19H13ClFNO4/c20-12-3-6-16-14(7-12)15(17(23)8-18(24)19(25)26)10-22(16)9-11-1-4-13(21)5-2-11/h1-8,10,23H,9H2,(H,25,26)/b17-8-
chemicalCompound:standardIn...	RLZOCCDYGUIPOU-IUXPMGMMSA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)\C=C(/O)\c1cn(Cc2ccc(F)cc2)c3ccc(Cl)cc13
chemicalCompound:molecularF...	C19 H13 Cl F N O4
chemicalCompound:moleculeId	329380
chemicalCompound:mwFreebase	373.762
chemicalCompound:alogp	4.218
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	79.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.728
chemicalCompound:acdLogP	4.198
chemicalCompound:acdLogD	0.416
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	373.762
chemicalCompound:chemblId	CHEMBL363170
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:429380
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:1610691, activity:1610692, activity:1610693, activity:1610694, activity:1610695, activity:1610696