766789

Source:http://linkedlifedata.com/resource/chembl/compound/766789

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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/C19H19N5OS2/c1-11-5-7-14(8-6-11)17-22-23-19(24(17)4)26-10-16(25)21-18-15(9-20)12(2)13(3)27-18/h5-8H,10H2,1-4H3,(H,21,25)
chemicalCompound:standardIn...	ITCMPPBILOAKCR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)c2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C
chemicalCompound:molecularF...	C19H19N5OS2
chemicalCompound:moleculeId	766789
chemicalCompound:mwFreebase	397.517
chemicalCompound:alogp	3.828
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	137.13
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.659
chemicalCompound:acdLogP	2.432
chemicalCompound:acdLogD	2.432
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.517
chemicalCompound:acdMostBpk...	1.141
chemicalCompound:chemblId	CHEMBL1342905
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:866789
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:3976161, activity:4886704, activity:5704156, activity:6974494, activity:7204964, activity:7436560