630479

Source:http://linkedlifedata.com/resource/chembl/compound/630479

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/C21H14F3N3O2S/c22-21(23,24)17-10-16(7-4-14(17)11-25)26-18(29)20(8-1-9-20)27(19(26)30)15-5-2-13(12-28)3-6-15/h2-7,10,12H,1,8-9H2
chemicalCompound:standardIn...	GTZNPTXXQCBAQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(c3ccc(C=O)cc3)C4(CCC4)C2=O
chemicalCompound:molecularF...	C21H14F3N3O2S
chemicalCompound:moleculeId	630479
chemicalCompound:mwFreebase	429.415
chemicalCompound:alogp	5.52
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	96.5
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.701
chemicalCompound:acdLogD	3.701
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.415
chemicalCompound:chemblId	CHEMBL1082432
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:730479
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:3302383