1169976

Source:http://linkedlifedata.com/resource/chembl/compound/1169976

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1192751
chemicalCompound:standardIn...	InChI=1S/C13H11N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7H,14H2,1H3;1H/b15-9+;
chemicalCompound:standardIn...	DDGMDTGNGDOUPX-NSPIFIKESA-N
chemicalCompound:canonicalS...	Cl.C\N=C\1/C=CC2=Nc3ccc(N)cc3SC2=C1
chemicalCompound:molecularF...	C13H12ClN3S
chemicalCompound:moleculeId	1169976
chemicalCompound:mwFreebase	241.312
chemicalCompound:alogp	2.031
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	76.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.375
chemicalCompound:acdLogD	2.374
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.772
chemicalCompound:acdMostBpk...	4.99
chemicalCompound:chemblId	CHEMBL1817785
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1269976
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:6325693, activity:6325698, activity:6325703, activity:6325711, activity:6325717