629082

Source:http://linkedlifedata.com/resource/chembl/compound/629082

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C20H13N7OS/c1-8-7-9(2)22-15-12(8)14(21)13-16(25-15)26-20-27(19(13)28)17-18(29-20)24-11-6-4-3-5-10(11)23-17/h3-7H,1-2H3,(H2,21,22,25)
chemicalCompound:standardIn...	MJMAYTBYSBWHNE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)c2c(N)c3C(=O)N4C(=Nc3nc2n1)Sc5nc6ccccc6nc45
chemicalCompound:molecularF...	C20H13N7OS
chemicalCompound:moleculeId	629082
chemicalCompound:mwFreebase	399.428
chemicalCompound:alogp	3.894
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	135.55
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.04
chemicalCompound:acdLogD	3.039
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	399.428
chemicalCompound:acdMostBpk...	4.077
chemicalCompound:chemblId	CHEMBL1088528
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:729082
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:3275762, activity:3275774, activity:3275786, activity:3276136, activity:3276149, activity:3276162, activity:3276174, activity:3276191, activity:3276203, activity:3276216